Pub Date : 2023-03-30DOI: 10.2174/2211352521666230330094431
Krishna Chandra Panda, B. R. Ravi Kumar, B. Sahoo, B. Chandrasekaran, Parijat Swain
Molecular docking study is used significantly in the drug discovery process for predicting the interaction between drug and receptor. This technique has been used commonly to identify the binding affinity and orientation of drug molecules at the binding site of the target. The main objectives of docking studies include accurate modeling of molecular structure and precise prediction of the biological activity of the drug molecules. Based on this concept, a series of 2-amino-6-(substituted phenyl)-4-oxo-4,5-dihydropyrimidine-5-carbonitrile derivatives have been designed and synthesized via multicomponent reaction. The synthetic protocol involves the one-pot, three-component reaction between equimolar quantities of substituted benzaldehydes, ethyl cyanoacetate, and guanidine in an ethanolic sodium hydroxide solution. The main objectives of docking studies include accurate modeling of molecular structure and precise prediction of biological activity of the drug molecules. The characterization of the titled compounds was carried out by assessing infrared spectroscopy (IR), proton nuclear magnetic resonance (1H-NMR), and mass spectrometry (MS) data. The synthesized compounds were screened for their in vitro anti-mycobacterial activity by using the luciferase reporter phage (LRP) assay method. The determination of anti-mycobacterial activity was carried out in terms of the percent reduction in the relative light unit (RLU). The test compounds displayed significant activity against Mycobacterium strain H37Rv in comparison to isoniazid as a standard drug.
{"title":"Molecular Docking, Multicomponent One-pot Synthesis of Pyrimidine Derivatives as Anti-mycobacterial Agents","authors":"Krishna Chandra Panda, B. R. Ravi Kumar, B. Sahoo, B. Chandrasekaran, Parijat Swain","doi":"10.2174/2211352521666230330094431","DOIUrl":"https://doi.org/10.2174/2211352521666230330094431","url":null,"abstract":"\u0000\u0000Molecular docking study is used significantly in the drug discovery process for predicting the interaction between drug and receptor. This technique has been used commonly to identify the binding affinity and orientation of drug molecules at the binding site of the target. The main objectives of docking studies include accurate modeling of molecular structure and precise prediction of the biological activity of the drug molecules.\u0000\u0000\u0000\u0000Based on this concept, a series of 2-amino-6-(substituted phenyl)-4-oxo-4,5-dihydropyrimidine-5-carbonitrile derivatives have been designed and synthesized via multicomponent reaction. The synthetic protocol involves the one-pot, three-component reaction between equimolar quantities of substituted benzaldehydes, ethyl cyanoacetate, and guanidine in an ethanolic sodium hydroxide solution.\u0000\u0000\u0000\u0000The main objectives of docking studies include accurate modeling of molecular structure and precise prediction of biological activity of the drug molecules.\u0000\u0000\u0000\u0000The characterization of the titled compounds was carried out by assessing infrared spectroscopy (IR), proton nuclear magnetic resonance (1H-NMR), and mass spectrometry (MS) data. The synthesized compounds were screened for their in vitro anti-mycobacterial activity by using the luciferase reporter phage (LRP) assay method.\u0000\u0000\u0000\u0000The determination of anti-mycobacterial activity was carried out in terms of the percent reduction in the relative light unit (RLU). The test compounds displayed significant activity against Mycobacterium strain H37Rv in comparison to isoniazid as a standard drug.\u0000","PeriodicalId":7951,"journal":{"name":"Anti-Infective Agents","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43875589","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-28DOI: 10.2174/2211352521666230328123222
Farideh Sharififar, N. Mohamadi, Maryam Rameshk, Shahram Kalantari Khandani
Drug development has a great deal to gain from the therapeutic and preventative actions of medicinal plants and their derivatives. In order to introduce active medicinal herbs and phytochemicals against viral infections of the respiratory system, we tried to focus on a vast amount of data. From 2000 to the present, articles from Web of Science, Scopus, ScienceDirect, PubMed, and Google Scholar were taken into consideration. A combination of respiratory viral infection with keywords of medicinal plants, phytochemicals, flavonoids, saponins, phenolics, terpenoids, alkaloids, and natural products has been used, as well as keywords of antiviral medicinal plants, and antiviral phytochemicals. Pure antiviral compounds and plants with activity against viruses other than respiratory viruses were disregarded and excluded from consideration. More than eighty phytochemicals and sixty herbs that were subjected to in vitro and in vivo investigations were documented. The current study collects information on multiple medicinal plants, including Camellia sinensis, Sambucus nigra, Pelargonium sidoides, Echinacea purpurea, and Glycyrrhiza glabra, which have been shown to have effective antiviral properties through experimental research. The main antiviral phytochemicals were terpenoids, alkaloids, and flavonoids. Additionally, chemicals including resveratrol, quercetin, chlorogenic acid, amentoflavone A, biochanin, and glycyrrhizin demonstrated efficacy against many viral infections. For the management of viral infections, the current review on the development of novel antiviral medications is strongly advised. It also provides a possibility to discover anti-Covid-19 lead compounds and can offer supportive treatment in this pandemic situation.
药物开发从药用植物及其衍生物的治疗和预防作用中获益良多。为了引入抗呼吸系统病毒感染的活性草药和植物化学物质，我们试图专注于大量的数据。从2000年至今，来自Web of Science、Scopus、ScienceDirect、PubMed和b谷歌Scholar的文章被纳入考虑范围。呼吸道病毒感染与药用植物、植物化学物质、黄酮类、皂苷类、酚类、萜类、生物碱、天然产物等关键词以及抗病毒药用植物、抗病毒植物化学物质等关键词相结合。对呼吸道病毒以外的病毒具有抗病毒活性的纯抗病毒化合物和植物被忽视并排除在考虑之外。超过80种植物化学物质和60种草药进行了体外和体内研究。本研究收集了多种药用植物的资料，包括茶花、黑参、天竺葵、紫锥菊、光甘草等，通过实验研究表明这些植物具有有效的抗病毒特性。主要的抗病毒植物化学物质为萜类、生物碱和类黄酮。此外，包括白藜芦醇、槲皮素、绿原酸、丙烯黄酮A、生物茶素和甘草酸在内的化学物质对许多病毒感染都有疗效。对于病毒感染的管理，强烈建议目前对新型抗病毒药物的开发进行审查。它还提供了发现抗covid -19先导化合物的可能性，并可以在这种大流行的情况下提供支持性治疗。
{"title":"A global perspective on medicinal plants and phytochemicals with antiviral potentials in the respiratory system","authors":"Farideh Sharififar, N. Mohamadi, Maryam Rameshk, Shahram Kalantari Khandani","doi":"10.2174/2211352521666230328123222","DOIUrl":"https://doi.org/10.2174/2211352521666230328123222","url":null,"abstract":"\u0000\u0000Drug development has a great deal to gain from the therapeutic and preventative actions of medicinal plants and their derivatives. In order to introduce active medicinal herbs and phytochemicals against viral infections of the respiratory system, we tried to focus on a vast amount of data.\u0000\u0000\u0000\u0000From 2000 to the present, articles from Web of Science, Scopus, ScienceDirect, PubMed, and Google Scholar were taken into consideration. A combination of respiratory viral infection with keywords of medicinal plants, phytochemicals, flavonoids, saponins, phenolics, terpenoids, alkaloids, and natural products has been used, as well as keywords of antiviral medicinal plants, and antiviral phytochemicals. Pure antiviral compounds and plants with activity against viruses other than respiratory viruses were disregarded and excluded from consideration.\u0000\u0000\u0000\u0000More than eighty phytochemicals and sixty herbs that were subjected to in vitro and in vivo investigations were documented. The current study collects information on multiple medicinal plants, including Camellia sinensis, Sambucus nigra, Pelargonium sidoides, Echinacea purpurea, and Glycyrrhiza glabra, which have been shown to have effective antiviral properties through experimental research. The main antiviral phytochemicals were terpenoids, alkaloids, and flavonoids. Additionally, chemicals including resveratrol, quercetin, chlorogenic acid, amentoflavone A, biochanin, and glycyrrhizin demonstrated efficacy against many viral infections.\u0000\u0000\u0000\u0000For the management of viral infections, the current review on the development of novel antiviral medications is strongly advised. It also provides a possibility to discover anti-Covid-19 lead compounds and can offer supportive treatment in this pandemic situation.\u0000","PeriodicalId":7951,"journal":{"name":"Anti-Infective Agents","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45903940","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-02-24DOI: 10.2174/2211352521666230224150318
Samiha Souagui, H. Boudries, W. Djoudi, Ibtissem Djinni, B. Keramane, F. Laincer, M. Kecha
The emerging antibiotic resistant bacteria (ARB) and antibiotic resistance genes (ARGs) are a pressing global concern. Furthermore, the limited number of available antifungal agents requires the discovery of new antimicrobials. Introduction: This paper focused on the isolation and characterization of an actinobacterium designated S10, the study of its antimicrobial activity, on the one hand, and the optimization of antifungal production using statistical methods, on the other hand. In this study, the actinobacteria was isolated from the wastewater plant of Souk-El-Tenine in the Bejaia region (Algeria) with antimicrobial activity, Nocardiopsis sp. S10 strain was screened for biological activities and the optimization of antifungal metabolites (against C. albicans) production was carried out through statistical methods using CCD and RSM. A haloalkaliphilic actinobacterium designated S10 was isolated from a wastewater treatment plant in the Souk-El-Tenine region (Bejaia, Algeria). This strain showed a broad spectrum of activity against bacteria (B. subtilis, L. innocua, M. luteus, S. aureus, MRSA, E. coli, P. aeruginosa, S. Typhi, and V. cholerae), molds (A. niger, G. geotricum, and F. oxysporum) and a pathogenic yeast (C. albicans). The extracellular enzymes producer Nocardiopsis sp. S10 was identified based on morphological, chemical, and 16S rRNA gene sequencing analysis. The best antimicrobial production was achieved on Mincer-Sea-Water (MSW) solid medium, and the antibiotics produced were extracted with ethyl acetate. For antifungal production, central composite design (CCD) and response surface methodology (RSM) were used to optimize the culture medium formulation. Improvement of antifungal production by a strain of Nocardiopsis. sp strain S10. Optimal antifungal activity was achieved using a mixture of 2 g. L-1 starch, 2 g. L-1 of yeast extract and 2.75 g. L-1 of peptone at pH = 9.2. The application of the statistical approach stimulated a good yield of anti-C. albicans activity, corresponding to an increase of 72.22% compared to the non-optimized conditions. Strain Isolation; Screening for antagonistic activity; 2.3 Characterization of the selected S10 strain ; 2.5 Strain fermentation and antimicrobials Production; Kinetics of growth and active metabolite synthesis; Determination of Minimum Inhibitory Concentration (MIC) values and 2.8 Optimization of anti- Candida albicans metabolites production by CCD and RSM. A haloalkaliphilic actinobacterium designated S10 was isolated from a wastewater treatment plant in the Souk-El-Tenine region (Bejaia, Algeria). This strain showed a broad spectrum of activity against bacteria, phytopathogenic molds and a pathogenic yeast (C. albicans). The isolate also produces extracellular enzymes, Nocardiopsis sp. S10 was identified based on morphological, chemical, and 16S rRNA gene sequencing analysis. For antifungal production, central composite design (CCD) and response surface methodol
新出现的抗生素耐药性细菌（ARB）和抗生素耐药性基因（ARGs）是全球迫切关注的问题。此外，可用的抗真菌药物数量有限，需要发现新的抗菌药物。引言：本文一方面对放线菌S10进行了分离和鉴定，一方面对其抗菌活性进行了研究，另一方面利用统计学方法对其抗真菌生产进行了优化。在本研究中，从Bejaia地区（阿尔及利亚）Souk El Tenine废水处理厂分离到具有抗菌活性的放线菌Nocardiosis sp。筛选S10菌株的生物活性，并使用CCD和RSM通过统计方法优化抗真菌代谢产物（抗白色念珠菌）的生产。从Souk El Tenine地区（阿尔及利亚Bejaia）的废水处理厂分离到一株名为S10的嗜盐碱性放线菌。该菌株对细菌（枯草芽孢杆菌、创新乳杆菌、黄曲霉、金黄色葡萄球菌、MRSA、大肠杆菌、铜绿假单胞菌、伤寒杆菌和霍乱弧菌）、霉菌（黑曲霉、地霉和尖孢镰刀菌）和致病酵母（白色念珠菌）表现出广谱活性。胞外酶产生菌Nocardiosis sp.S10是基于形态、化学和16S rRNA基因测序分析鉴定的。在Mincer Sea Water（MSW）固体培养基上获得了最佳的抗菌效果，并用乙酸乙酯提取产生的抗菌药物。对于抗真菌生产，采用中心复合设计（CCD）和响应面法（RSM）优化培养基配方。一株诺卡氏菌提高抗真菌能力。sp菌株S10。在pH=9.2时，使用2g.L-1淀粉、2g.L-1酵母提取物和2.75g.L-1蛋白胨的混合物获得了最佳的抗真菌活性。统计学方法的应用刺激了抗-C的良好产量。白色念珠菌活性，与未优化的条件相比增加了72.22%。菌株隔离；拮抗活性筛选；2.3所选S10菌株的表征；2.5菌株发酵和抗菌剂生产；生长动力学和活性代谢产物合成；最小抑制浓度（MIC）值的测定和2.8通过CCD和RSM优化抗白色念珠菌代谢产物的产生。从Souk El Tenine地区（阿尔及利亚Bejaia）的废水处理厂分离出一株名为S10的嗜盐放线菌。该菌株对细菌、植物病原霉菌和病原酵母（白色念珠菌）表现出广谱活性。该分离株还产生胞外酶Nocardiosis sp.S10是基于形态、化学和16S rRNA基因测序分析鉴定的。对于抗真菌生产，采用中心复合设计（CCD）和响应面法（RSM）优化培养基配方。使用2 g.L-1淀粉、2 g.L-1酵母提取物和2.75 g.L-1蛋白胨的混合物在pH=9.2时获得了最佳的抗真菌活性。从Bejaia地区（阿尔及利亚）的废水处理厂分离活性放线菌
{"title":"Characterization of a Haloalkaline Nocardiopsis sp. Strain S10 Isolated from Wastewater and Optimization of Culture Medium for Improving Production of Antifungal Compounds","authors":"Samiha Souagui, H. Boudries, W. Djoudi, Ibtissem Djinni, B. Keramane, F. Laincer, M. Kecha","doi":"10.2174/2211352521666230224150318","DOIUrl":"https://doi.org/10.2174/2211352521666230224150318","url":null,"abstract":"\u0000\u0000The emerging antibiotic resistant bacteria (ARB) and antibiotic resistance genes (ARGs) are a pressing global concern. Furthermore, the limited number of available antifungal agents requires the discovery of new antimicrobials. \u0000Introduction: This paper focused on the isolation and characterization of an actinobacterium designated S10, the study of its antimicrobial activity, on the one hand, and the optimization of antifungal production using statistical methods, on the other hand.\u0000\u0000\u0000\u0000In this study, the actinobacteria was isolated from the wastewater plant of Souk-El-Tenine in the Bejaia region (Algeria) with antimicrobial activity, Nocardiopsis sp. S10 strain was screened for biological activities and the optimization of antifungal metabolites (against C. albicans) production was carried out through statistical methods using CCD and RSM.\u0000\u0000\u0000\u0000A haloalkaliphilic actinobacterium designated S10 was isolated from a wastewater treatment plant in the Souk-El-Tenine region (Bejaia, Algeria). This strain showed a broad spectrum of activity against bacteria (B. subtilis, L. innocua, M. luteus, S. aureus, MRSA, E. coli, P. aeruginosa, S. Typhi, and V. cholerae), molds (A. niger, G. geotricum, and F. oxysporum) and a pathogenic yeast (C. albicans). The extracellular enzymes producer Nocardiopsis sp. S10 was identified based on morphological, chemical, and 16S rRNA gene sequencing analysis. The best antimicrobial production was achieved on Mincer-Sea-Water (MSW) solid medium, and the antibiotics produced were extracted with ethyl acetate. For antifungal production, central composite design (CCD) and response surface methodology (RSM) were used to optimize the culture medium formulation.\u0000\u0000\u0000\u0000Improvement of antifungal production by a strain of Nocardiopsis. sp strain S10.\u0000\u0000\u0000\u0000Optimal antifungal activity was achieved using a mixture of 2 g. L-1 starch, 2 g. L-1 of yeast extract and 2.75 g. L-1 of peptone at pH = 9.2. The application of the statistical approach stimulated a good yield of anti-C. albicans activity, corresponding to an increase of 72.22% compared to the non-optimized conditions.\u0000\u0000\u0000\u0000Strain Isolation; Screening for antagonistic activity; 2.3 Characterization of the selected S10 strain ; 2.5 Strain fermentation and antimicrobials Production; Kinetics of growth and active metabolite synthesis; Determination of Minimum Inhibitory Concentration (MIC) values and 2.8 Optimization of anti- Candida albicans metabolites production by CCD and RSM.\u0000\u0000\u0000\u0000A haloalkaliphilic actinobacterium designated S10 was isolated from a wastewater treatment plant in the Souk-El-Tenine region (Bejaia, Algeria). \u0000This strain showed a broad spectrum of activity against bacteria, phytopathogenic molds and a pathogenic yeast (C. albicans).\u0000The isolate also produces extracellular enzymes, Nocardiopsis sp. S10 was identified based on morphological, chemical, and 16S rRNA gene sequencing analysis. \u0000For antifungal production, central composite design (CCD) and response surface methodol","PeriodicalId":7951,"journal":{"name":"Anti-Infective Agents","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49347107","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-02-01DOI: 10.2174/2211352521666230201121402
M. Shahid, R. M. Joji, Shahad Alsharji, Shahad Abdullah Alkiyumi, Kothar Ali Alsakiti, Mohd. Shadab, A. Almahmeed
Nutritionally variable streptococci (NVS) were assumed to be nutritional mutants of the viridans group of streptococci, but they are now considered as other Streptococcus species. Due to their difficult nature, to date, the detection and treatment of NVS are challenging. This review aims at a compilation of a comprehensive study on literature reporting the microbiological characteristics of NVS species, their detection, and treatment strategies with an emphasis on large-scale research experimentations According to the literature, the classification of these Streptococci has changed several times, interpreting the scientific literature of Abiotrophia and Granulicatella spp. NVS strains exhibit pleomorphic cellular morphologies, and they can be distinguished from other streptococci by their biochemical reactions and molecular tests. They have been isolated from clinical specimens including pus, synovial fluid, and blood, in addition to their involvement in endocarditis. Treatment of NVS is challenging due to its difficult nature and the complexity of antimicrobial susceptibility testing. Early diagnosis is critical for initiating proper therapy and avoiding fatal consequences. Microbiologists and clinicians ought to be cautious of these isolates, which are easy to overlook due to their difficult nature and the challenges in retrieving from clinical samples. Hence large-scale research is required to identify additional detection techniques, infrastructure, and treatment options.
{"title":"Nutritionally Variant Streptococci- its Clinical Relevance and Treatment Options: A Mini-Review","authors":"M. Shahid, R. M. Joji, Shahad Alsharji, Shahad Abdullah Alkiyumi, Kothar Ali Alsakiti, Mohd. Shadab, A. Almahmeed","doi":"10.2174/2211352521666230201121402","DOIUrl":"https://doi.org/10.2174/2211352521666230201121402","url":null,"abstract":"\u0000\u0000Nutritionally variable streptococci (NVS) were assumed to be nutritional mutants of the viridans group of streptococci, but they are now considered as other Streptococcus species. Due to their difficult nature, to date, the detection and treatment of NVS are challenging.\u0000\u0000\u0000\u0000This review aims at a compilation of a comprehensive study on literature reporting the microbiological characteristics of NVS species, their detection, and treatment strategies with an emphasis on large-scale research experimentations\u0000\u0000\u0000\u0000According to the literature, the classification of these Streptococci has changed several times, interpreting the scientific literature of Abiotrophia and Granulicatella spp. NVS strains exhibit pleomorphic cellular morphologies, and they can be distinguished from other streptococci by their biochemical reactions and molecular tests. They have been isolated from clinical specimens including pus, synovial fluid, and blood, in addition to their involvement in endocarditis. Treatment of NVS is challenging due to its difficult nature and the complexity of antimicrobial susceptibility testing.\u0000\u0000\u0000\u0000Early diagnosis is critical for initiating proper therapy and avoiding fatal consequences. Microbiologists and clinicians ought to be cautious of these isolates, which are easy to overlook due to their difficult nature and the challenges in retrieving from clinical samples. Hence large-scale research is required to identify additional detection techniques, infrastructure, and treatment options.\u0000","PeriodicalId":7951,"journal":{"name":"Anti-Infective Agents","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49081026","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-26DOI: 10.2174/2211352521666230126123021
U. Sinha, Naruti Longkumer, Kikoleho Richa, Rituparna Karmaker, Basanta Singha
Test substrates are routinely used in laboratories to test the efficacy of various reactions, and while many substrates have found success as test substrates, not much is known about their potential intrinsic properties. On that note, some bromoaniline compounds were synthesized and repurposed by studying their antibacterial activity The in-vitro antibacterial tests were done against S. aureus, K. pneumoniae, B. subtilis, and E. coli. tests were carried out to understand the mode of action of the compounds where changes in permeability and integrity of cell membrane resulting in the leakage of UV absorbing materials were observed. Computational studies were performed by employing density functional theory (DFT) in the Gaussian09 software for determining the reactivity of the studied compounds. Molecular docking studies were executed to define the interaction of the synthesized compounds with microbial target proteins, Dihydrofolate reductase (PDB ID: 3SRW) and DNA gyrase subunit B (PDB ID: 1KZN). The compound’s response to the mode of action tests showed alteration in the membrane permeability and its antimicrobial effectiveness at different pH contributed it to being a potential antibiotic. The results of DFT studies revealed that the molecular descriptors indicate better reactivity of compound 8b which is in agreement with the experiments performed. Molecular docking studies revealed that interactions of the compounds at the active sites of target proteins depict that the compounds are likely to bind to the protein enhancing their potential as antibacterial agents. This work concludes that simple molecules synthesized effortlessly through a simple and environmentally benign pathway, can pose as a good therapeutic agent.
{"title":"Experimental and Theoretical Investigations on the Antibacterial Activity of some Bromoaniline Compounds","authors":"U. Sinha, Naruti Longkumer, Kikoleho Richa, Rituparna Karmaker, Basanta Singha","doi":"10.2174/2211352521666230126123021","DOIUrl":"https://doi.org/10.2174/2211352521666230126123021","url":null,"abstract":"\u0000\u0000Test substrates are routinely used in laboratories to test the efficacy of various reactions, and while many substrates have found success as test substrates, not much is known about their potential intrinsic properties. On that note, some bromoaniline compounds were synthesized and repurposed by studying their antibacterial activity\u0000\u0000\u0000\u0000The in-vitro antibacterial tests were done against S. aureus, K. pneumoniae, B. subtilis, and E. coli. tests were carried out to understand the mode of action of the compounds where changes in permeability and integrity of cell membrane resulting in the leakage of UV absorbing materials were observed. Computational studies were performed by employing density functional theory (DFT) in the Gaussian09 software for determining the reactivity of the studied compounds. Molecular docking studies were executed to define the interaction of the synthesized compounds with microbial target proteins, Dihydrofolate reductase (PDB ID: 3SRW) and DNA gyrase subunit B (PDB ID: 1KZN).\u0000\u0000\u0000\u0000The compound’s response to the mode of action tests showed alteration in the membrane permeability and its antimicrobial effectiveness at different pH contributed it to being a potential antibiotic. The results of DFT studies revealed that the molecular descriptors indicate better reactivity of compound 8b which is in agreement with the experiments performed. Molecular docking studies revealed that interactions of the compounds at the active sites of target proteins depict that the compounds are likely to bind to the protein enhancing their potential as antibacterial agents.\u0000\u0000\u0000\u0000This work concludes that simple molecules synthesized effortlessly through a simple and environmentally benign pathway, can pose as a good therapeutic agent.\u0000","PeriodicalId":7951,"journal":{"name":"Anti-Infective Agents","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43497610","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-20DOI: 10.2174/2211352521666230120100928
Benedict Paul C, L. R., Namitha Nandakumar, H. K., A. P, Aarthi Jayakumar, A. K
Enterococcus faecalis is a common opportunistic pathogen that can infect various tissues in the human body and in particular, the oral cavity. It has been implicated in periodontal disease, oral mucosal lesions in immunocompromised patients, peri-implantitis, peri-radicular abscesses, and root canal infections. They are also most prevalent in secondary endodontic infections and are recognized as treatment-resistant bacteria in the root canal. Virulence factors help in this pathogenicity as some factors aid its adherence to the surface. It has become a research focus in recent times for its resistance to various antibiotics like vancomycin and so, the search for alternative therapeutic approaches has also evolved. Although various chemical irrigants such as sodium hypochlorite (NaOCl), chlorhexidine (CHX), iodine potassium iodide (IKI), calcium hydroxide (Ca(OH)2) and chlorine dioxide (ClO2) have been used for years, the use of plant extracts and essential oils have attracted the researchers to explore their activity against various dental pathogens like E.faecalis. Recently, it has been found that the phages are more effective in treating biofilm than antibiotics and it has also been observed that they are effective when used in combination with antibiotics. In this review, we have presented various treatment strategies that have been in use for treating dental infections and also discussed future therapeutic approaches, which, may help unfold promising novel strategies.
{"title":"Antimicrobial Therapeutic Strategies For Enterococcus faecalis In Dental Infections - Past, Present and Future","authors":"Benedict Paul C, L. R., Namitha Nandakumar, H. K., A. P, Aarthi Jayakumar, A. K","doi":"10.2174/2211352521666230120100928","DOIUrl":"https://doi.org/10.2174/2211352521666230120100928","url":null,"abstract":"\u0000\u0000Enterococcus faecalis is a common opportunistic pathogen that can infect various tissues in the human body and in particular, the oral cavity. It has been implicated in periodontal disease, oral mucosal lesions in immunocompromised patients, peri-implantitis, peri-radicular abscesses, and root canal infections. They are also most prevalent in secondary endodontic infections and are recognized as treatment-resistant bacteria in the root canal. Virulence factors help in this pathogenicity as some factors aid its adherence to the surface. It has become a research focus in recent times for its resistance to various antibiotics like vancomycin and so, the search for alternative therapeutic approaches has also evolved.\u0000\u0000\u0000\u0000Although various chemical irrigants such as sodium hypochlorite (NaOCl), chlorhexidine (CHX), iodine potassium iodide (IKI), calcium hydroxide (Ca(OH)2) and chlorine dioxide (ClO2) have been used for years, the use of plant extracts and essential oils have attracted the researchers to explore their activity against various dental pathogens like E.faecalis. Recently, it has been found that the phages are more effective in treating biofilm than antibiotics and it has also been observed that they are effective when used in combination with antibiotics.\u0000\u0000\u0000\u0000In this review, we have presented various treatment strategies that have been in use for treating dental infections and also discussed future therapeutic approaches, which, may help unfold promising novel strategies.\u0000","PeriodicalId":7951,"journal":{"name":"Anti-Infective Agents","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41762127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-06DOI: 10.2174/2211352521666230106100045
A. Tavakoli, P. Khales, Fariba Shahi, S. Ghorbani, A. Esteghamati, S. Sayyahfar, Khadijeh Khanaliha, F. Bokharaei-Salim, S. J. Kiani, S. Monavari, S. Minaeian, M. Farahmand, V. Poortahmasebi, Fatemeh Faraji, Mehri Naghdalipoor, Z. Habib, M. Saghafi
Recently, plant-based medications have been considered promising. Scrophularia has been demonstrated to have antibacterial, antifungal, antiparasitic, anticancer, and anti-inflammatory effects; however, no evidence of its antiviral potency is available. This study aimed to evaluate whether the aqueous extract of Scrophularia Variegata has antiviral activity against rotavirus as the leading cause of severe diarrhea and acute gastroenteritis in children. The neutral red assay was utilized to assess the cytotoxicity of the aqueous extract on the cell line. Cytopathic effect (CPE) inhibition, TCID50 (50% cell culture infectious dose), and real-time PCR assays were performed to determine the extract's impact on human rotavirus at non-toxic dilutions. Cell viability was raised following treatment with the aqueous extract at all dilutions. Rotavirus-induced CPEs were considerably reduced when higher dilutions of the aqueous extract were applied to the infected cells. The most substantial inhibitory effect was observed at the highest dilution with no detectable infectious rotavirus titer using the TCID50 assay and no Ct value using the real-time PCR assay. Our findings show that the aqueous extract of Scrophularia Variegata may be a promising candidate for the treatment of rotavirus-induced gastroenteritis.
{"title":"Complete Inhibition of Human Rotavirus Infection by the Aqueous Extract of Scrophularia Variegata","authors":"A. Tavakoli, P. Khales, Fariba Shahi, S. Ghorbani, A. Esteghamati, S. Sayyahfar, Khadijeh Khanaliha, F. Bokharaei-Salim, S. J. Kiani, S. Monavari, S. Minaeian, M. Farahmand, V. Poortahmasebi, Fatemeh Faraji, Mehri Naghdalipoor, Z. Habib, M. Saghafi","doi":"10.2174/2211352521666230106100045","DOIUrl":"https://doi.org/10.2174/2211352521666230106100045","url":null,"abstract":"\u0000\u0000Recently, plant-based medications have been considered promising. Scrophularia has been demonstrated to have antibacterial, antifungal, antiparasitic, anticancer, and anti-inflammatory effects; however, no evidence of its antiviral potency is available.\u0000\u0000\u0000\u0000This study aimed to evaluate whether the aqueous extract of Scrophularia Variegata has antiviral activity against rotavirus as the leading cause of severe diarrhea and acute gastroenteritis in children.\u0000\u0000\u0000\u0000The neutral red assay was utilized to assess the cytotoxicity of the aqueous extract on the cell line. Cytopathic effect (CPE) inhibition, TCID50 (50% cell culture infectious dose), and real-time PCR assays were performed to determine the extract's impact on human rotavirus at non-toxic dilutions.\u0000\u0000\u0000\u0000Cell viability was raised following treatment with the aqueous extract at all dilutions. Rotavirus-induced CPEs were considerably reduced when higher dilutions of the aqueous extract were applied to the infected cells. The most substantial inhibitory effect was observed at the highest dilution with no detectable infectious rotavirus titer using the TCID50 assay and no Ct value using the real-time PCR assay.\u0000\u0000\u0000\u0000Our findings show that the aqueous extract of Scrophularia Variegata may be a promising candidate for the treatment of rotavirus-induced gastroenteritis.\u0000","PeriodicalId":7951,"journal":{"name":"Anti-Infective Agents","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46158984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-06DOI: 10.2174/2211352521666221206100828
A. T. Zatla, Manel Zaoui-Djelloul Daouadji, Lamia Chaoui Boudghane, M. A. Dib
Essential oil of M. vulgare is an important natural source that can be useful in controlling the infection of tomatoes and larvicides. This work aimed to determine seasonal variations (winter, spring and summer) of the composition of M. vulgare essential oil and fungicidal and larvicidal potential of this oil. Essential oils were obtained by a Clevenger-type apparatus and analyzed by using Gas Chromatography (GC) and Gas Chromatography Mass Spectroscopy (GC/MS). The antifungal activities were tested on two strains: Penicillium expansum and Alternaria alternata, and insecticidal activity was tested against Tuta absoluta insect pest of tomatoes. The essential oil of M. vulgare, collected at the same locality throughout the three seasons (winter, spring and summer), was compared in terms of composition and yields. Mostly quantitative, rather than qualitative variation, was observed in the oil composition. Considerable changes were noted for E-β-caryophyllene (4.5-23.5 %), E-β-farnesene (3.4-22.9 %) and α-humulene (tr-14.8 %). On the other hand, essential oil of M. vulgare collected during the months of April and June (Col EO) was evaluated for its insecticidal and antifungal activity. Col EO showed good in-vitro antifungal activity against P. expansum and A. alternata with percentages of inhibition of 94 % and 100 % at 10 mL/L, respectively. Due to the promising results of in-vitro tests, the essential oil of M. vulgare was chosen to determine the protective effects in tomato fruits against infection caused by A. alternata. Observations showed that the treatment of tomato fruits with Col EO resulted in a remarkable reduction of disease severity compared with the controls. Col EO used with the concentration of 0.5 mL/L air showed a very interesting protective activity against black rot of tomatoes caused by A. alternata, up to the 15th day of storage, compared with the control. However, essential oil collected during the month of February (FEO) exhibited no effect of antifungal activity against the phytopathogens tested. On the other hand, the Col EO of M. vulgare exhibited also a good insecticidal activity. At the concentration of 20 mL/L air, the oil caused mortality up to 100% for all larval stages and adults of Tuta absoluta after 24 h of exposure. The Col EO can be used as a potential source to develop control agents to manage some of the main pests and fungal diseases of tomato.
{"title":"Seasonal variations in the chemical composition of essential oil and antifungal and larvicidal activities of Marrubium vulgare, an aromatic plant growing wild in West-Algeria","authors":"A. T. Zatla, Manel Zaoui-Djelloul Daouadji, Lamia Chaoui Boudghane, M. A. Dib","doi":"10.2174/2211352521666221206100828","DOIUrl":"https://doi.org/10.2174/2211352521666221206100828","url":null,"abstract":"\u0000\u0000Essential oil of M. vulgare is an important natural source that can be useful in controlling the infection of tomatoes and larvicides.\u0000\u0000\u0000\u0000This work aimed to determine seasonal variations (winter, spring and summer) of the composition of M. vulgare essential oil and fungicidal and larvicidal potential of this oil.\u0000\u0000\u0000\u0000Essential oils were obtained by a Clevenger-type apparatus and analyzed by using Gas Chromatography (GC) and Gas Chromatography Mass Spectroscopy (GC/MS). The antifungal activities were tested on two strains: Penicillium expansum and Alternaria alternata, and insecticidal activity was tested against Tuta absoluta insect pest of tomatoes.\u0000\u0000\u0000\u0000The essential oil of M. vulgare, collected at the same locality throughout the three seasons (winter, spring and summer), was compared in terms of composition and yields. Mostly quantitative, rather than qualitative variation, was observed in the oil composition. Considerable changes were noted for E-β-caryophyllene (4.5-23.5 %), E-β-farnesene (3.4-22.9 %) and α-humulene (tr-14.8 %). On the other hand, essential oil of M. vulgare collected during the months of April and June (Col EO) was evaluated for its insecticidal and antifungal activity. Col EO showed good in-vitro antifungal activity against P. expansum and A. alternata with percentages of inhibition of 94 % and 100 % at 10 mL/L, respectively. Due to the promising results of in-vitro tests, the essential oil of M. vulgare was chosen to determine the protective effects in tomato fruits against infection caused by A. alternata. Observations showed that the treatment of tomato fruits with Col EO resulted in a remarkable reduction of disease severity compared with the controls. Col EO used with the concentration of 0.5 mL/L air showed a very interesting protective activity against black rot of tomatoes caused by A. alternata, up to the 15th day of storage, compared with the control. However, essential oil collected during the month of February (FEO) exhibited no effect of antifungal activity against the phytopathogens tested. On the other hand, the Col EO of M. vulgare exhibited also a good insecticidal activity. At the concentration of 20 mL/L air, the oil caused mortality up to 100% for all larval stages and adults of Tuta absoluta after 24 h of exposure.\u0000\u0000\u0000\u0000The Col EO can be used as a potential source to develop control agents to manage some of the main pests and fungal diseases of tomato.\u0000","PeriodicalId":7951,"journal":{"name":"Anti-Infective Agents","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46296691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-11-14DOI: 10.2174/2211352521666221114114425
D. Patel
Flavonoids are low molecular weight class secondary metabolites found to be present throughout the plant kingdom. Structurally, flavonoid class phytochemicals consist of C6-C3-C6 chemical structures with different substitution patterns and have drug-like nature. Morelloflavone is a biflavonoid class phytochemical found to be present abundantly in the Garcinia genus. Morelloflavone has been investigated in the scientific field for its numerous pharmacological activities. The present work aims to discuss the scientific progress of health beneficial aspects and pharmacological potential of morelloflavone in medicine. The purpose of this work is to provide scientific information about the biological potential and health beneficial effects of flavonoids in medicine with special reference to the morelloflavone. In this work, we have collected the scientific data of morelloflavone for the biological potential and pharmacological activities against different types of human illnesses with their mechanism of action from Google, Google Scholar, Science Direct and PubMed and analyzed. Further, the preventive role of morelloflavone against various types of human illnesses and the mechanism of action have also been discussed in the present work. This work will provide up-to-date information on the health beneficial aspects of morelloflavone in medicine for the prevention and treatment of human complications. Morelloflavone exhibited a wide-range of pharmacologic activity in regulating numerous kinds of human disorders. Present work revealed the health beneficial aspects and pharmacological activities of morelloflavone for the prevention and treatment of human disorders due to its anti-microbial, anti-plasmodial, anti-oxidant, anti-atherosclerosis, anti-inflammatory, anti-tumor anti-restenosis, anti-HIV, aphrodisiac, Alzheimer's disease and apoptotic potential in the medicine. Further, its biological potential on phospholipase A2, melanin, kallikreins, monoamine oxidase, aromatase, Eg5 Inhibition and proprotein convertases have been also analyzed in the present work. Analytical data signified the importance of modern analytical tools for the separation and isolation of morelloflavone in medicine. Present work revealed the detailed pharmacological activities of morelloflavone that can be utilized in the future for the development of new pharmacologic agents.
{"title":"Morelloflavone as Phytomedicine–An ethnopharmacological review on the therapeutical properties, Biological Efficacy and Pharmacological Activity","authors":"D. Patel","doi":"10.2174/2211352521666221114114425","DOIUrl":"https://doi.org/10.2174/2211352521666221114114425","url":null,"abstract":"\u0000\u0000Flavonoids are low molecular weight class secondary metabolites found to be present throughout the plant kingdom. Structurally, flavonoid class phytochemicals consist of C6-C3-C6 chemical structures with different substitution patterns and have drug-like nature. Morelloflavone is a biflavonoid class phytochemical found to be present abundantly in the Garcinia genus. Morelloflavone has been investigated in the scientific field for its numerous pharmacological activities. The present work aims to discuss the scientific progress of health beneficial aspects and pharmacological potential of morelloflavone in medicine.\u0000\u0000\u0000\u0000The purpose of this work is to provide scientific information about the biological potential and health beneficial effects of flavonoids in medicine with special reference to the morelloflavone. In this work, we have collected the scientific data of morelloflavone for the biological potential and pharmacological activities against different types of human illnesses with their mechanism of action from Google, Google Scholar, Science Direct and PubMed and analyzed. Further, the preventive role of morelloflavone against various types of human illnesses and the mechanism of action have also been discussed in the present work. This work will provide up-to-date information on the health beneficial aspects of morelloflavone in medicine for the prevention and treatment of human complications.\u0000\u0000\u0000\u0000Morelloflavone exhibited a wide-range of pharmacologic activity in regulating numerous kinds of human disorders. Present work revealed the health beneficial aspects and pharmacological activities of morelloflavone for the prevention and treatment of human disorders due to its anti-microbial, anti-plasmodial, anti-oxidant, anti-atherosclerosis, anti-inflammatory, anti-tumor anti-restenosis, anti-HIV, aphrodisiac, Alzheimer's disease and apoptotic potential in the medicine. Further, its biological potential on phospholipase A2, melanin, kallikreins, monoamine oxidase, aromatase, Eg5 Inhibition and proprotein convertases have been also analyzed in the present work. Analytical data signified the importance of modern analytical tools for the separation and isolation of morelloflavone in medicine.\u0000\u0000\u0000\u0000Present work revealed the detailed pharmacological activities of morelloflavone that can be utilized in the future for the development of new pharmacologic agents.\u0000","PeriodicalId":7951,"journal":{"name":"Anti-Infective Agents","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47849908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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