Pub Date : 2023-11-24DOI: 10.2174/0122133372268423231101072640
Takio Nene, Anindita Hazarika, Meera Yadav
Epoxides are widely useful in various fields such as pharmaceuticals, pesticides, cosmetics, polymer synthesis, fragrance compounds, and food additives. However, the synthesis of epoxides involves heavy metal catalysts and toxic, unstable organic catalysts which causes serious environmental and safety concerns. In recent years, biocatalysts have received a great deal of interest in the synthesis of olefin-derived epoxides due to their mild reaction conditions, environmental friendliness, good selectivity, and sustainability. This study focuses on catalases as a biocatalyst for potential epoxidation reactions of olefins.Objective: To determine the possibility of using biocatalyst catalase from a novel source Sechium edule (squash) for epoxidation of olefins in the presence of H2O2. UV-Vis spectrophotometer was used to monitor the formation of epoxide from substrates- cyclohexene, cinnamic acid, cinnamaldehyde, furfural in acetonitrile solvent and a suitable aliquot of the enzyme solution in the presence of H2O2. The products formed were analyzed using FTIR and GC-MS. For the immobilized enzyme, chitosan beads activated with TPP were used in place of the enzyme and a similar procedure was followed for the analysis. Four different olefin substrates (cyclohexene, cinnamic acid, cinnamaldehyde, and furfural) were selected to study the catalysis reaction of epoxidation by the catalase enzyme. The course of the epoxidation was monitored by UV-Vis, FTIR, and GC-MS methods. However, under optimized reaction conditions and spectral analysis, further confirmed by GC-MS, data showed only epoxide formation from cyclohexene. CAT completely catalyzed other olefins like furfural, cinnamic acid, and cinnamaldehyde into its degraded products biochemically. Therefore, cyclohexene was selected for further immobilization studies and the identified metabolites of olefins and their degradation mechanism. Major biodegradation products of cinnamic acid were found to be styrene( m/z 104.0) and benzaldehyde(m/z 105.0). GC-MS data of biotransformation of cinnamaldehyde, identified 2,4 dimethyl benzaldehyde(m/z 133) as the main product. The catalytic biotransformation of furfural investigated by GC-MS data identified 2,5 dimethyl benzaldehyde (m/z 133), dodecanol (m/z 181) and Pentanoic acid, 5 hydroxy, 2,4 dibutyl phenyl ester(m/z 306) as the major product. Three major oxidized products were detected in GC-MS data from the epoxidation of cyclohexene viz., cyclohexane diol(m/z 116), cyclohexene epoxide-1-ol(m/z 110), cyclohexene epoxide-1-one(m/z 110). In this investigation, catalase purified from Sechium edule(squash) was developed as an efficient catalytic tool for the biotransformation of olefins and selective epoxidation of cyclohexene. Under optimized conditions, the experimental results revealed the main products found in cinnamaldehyde as benzaldehyde (m/z 133.0) and cinnamic acid as benzaldehyde (m/z 133), styrene (m/z 104.0) and benzoic acid (m/z 122.0), wh
{"title":"Biotransformation of Cinnamic Acid, Cinnamaldehyde, Furfural and Epoxidation of Cyclohexene by Plant Catalase","authors":"Takio Nene, Anindita Hazarika, Meera Yadav","doi":"10.2174/0122133372268423231101072640","DOIUrl":"https://doi.org/10.2174/0122133372268423231101072640","url":null,"abstract":"Epoxides are widely useful in various fields such as pharmaceuticals, pesticides, cosmetics, polymer synthesis, fragrance compounds, and food additives. However, the synthesis of epoxides involves heavy metal catalysts and toxic, unstable organic catalysts which causes serious environmental and safety concerns. In recent years, biocatalysts have received a great deal of interest in the synthesis of olefin-derived epoxides due to their mild reaction conditions, environmental friendliness, good selectivity, and sustainability. This study focuses on catalases as a biocatalyst for potential epoxidation reactions of olefins.Objective: To determine the possibility of using biocatalyst catalase from a novel source Sechium edule (squash) for epoxidation of olefins in the presence of H2O2. UV-Vis spectrophotometer was used to monitor the formation of epoxide from substrates- cyclohexene, cinnamic acid, cinnamaldehyde, furfural in acetonitrile solvent and a suitable aliquot of the enzyme solution in the presence of H2O2. The products formed were analyzed using FTIR and GC-MS. For the immobilized enzyme, chitosan beads activated with TPP were used in place of the enzyme and a similar procedure was followed for the analysis. Four different olefin substrates (cyclohexene, cinnamic acid, cinnamaldehyde, and furfural) were selected to study the catalysis reaction of epoxidation by the catalase enzyme. The course of the epoxidation was monitored by UV-Vis, FTIR, and GC-MS methods. However, under optimized reaction conditions and spectral analysis, further confirmed by GC-MS, data showed only epoxide formation from cyclohexene. CAT completely catalyzed other olefins like furfural, cinnamic acid, and cinnamaldehyde into its degraded products biochemically. Therefore, cyclohexene was selected for further immobilization studies and the identified metabolites of olefins and their degradation mechanism. Major biodegradation products of cinnamic acid were found to be styrene( m/z 104.0) and benzaldehyde(m/z 105.0). GC-MS data of biotransformation of cinnamaldehyde, identified 2,4 dimethyl benzaldehyde(m/z 133) as the main product. The catalytic biotransformation of furfural investigated by GC-MS data identified 2,5 dimethyl benzaldehyde (m/z 133), dodecanol (m/z 181) and Pentanoic acid, 5 hydroxy, 2,4 dibutyl phenyl ester(m/z 306) as the major product. Three major oxidized products were detected in GC-MS data from the epoxidation of cyclohexene viz., cyclohexane diol(m/z 116), cyclohexene epoxide-1-ol(m/z 110), cyclohexene epoxide-1-one(m/z 110). In this investigation, catalase purified from Sechium edule(squash) was developed as an efficient catalytic tool for the biotransformation of olefins and selective epoxidation of cyclohexene. Under optimized conditions, the experimental results revealed the main products found in cinnamaldehyde as benzaldehyde (m/z 133.0) and cinnamic acid as benzaldehyde (m/z 133), styrene (m/z 104.0) and benzoic acid (m/z 122.0), wh","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":"15 37","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139240162","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 : 2023-11-10DOI: 10.2174/0122133372274680231105072522
Smitha George, Sherlymole P. Baby, Sreekumar Krishnapillai
Background:: Multistranded foldamers mimic biopolymer architecture, through the assembly and folding of intrinsically flexible polymeric chains attached to polyol core have been synthesised here. The synthesised dendritic motifs possess helical cavities with properly arranged active sites. As these cavities are large enough to accommodate guest molecules, their application as synthetic foldamer catalyst were investigated in Knoevenagel and Mannich reactions. Methods:: It is presumed to be the potentiality of dendritic foldamers to form reverse micelle in the interior of helical motif containing many reactive sites. Results:: Inside the dendritic foldamer, the substrates are adequately concentrated, work together in cooperation for ligand-binding, and stabilize the transition state as in enzymes that helps to accelerate the reaction rate many times greater than in bulk solution. Conclusion:: An unrivalled reaction rate and high yield of products were obtained within a short time in both Knoevenagel and Mannich reactions by using dendritic foldamers as catalysts.
{"title":"Design of Dendritic Foldamers as Catalysts for Organic Synthesis","authors":"Smitha George, Sherlymole P. Baby, Sreekumar Krishnapillai","doi":"10.2174/0122133372274680231105072522","DOIUrl":"https://doi.org/10.2174/0122133372274680231105072522","url":null,"abstract":"Background:: Multistranded foldamers mimic biopolymer architecture, through the assembly and folding of intrinsically flexible polymeric chains attached to polyol core have been synthesised here. The synthesised dendritic motifs possess helical cavities with properly arranged active sites. As these cavities are large enough to accommodate guest molecules, their application as synthetic foldamer catalyst were investigated in Knoevenagel and Mannich reactions. Methods:: It is presumed to be the potentiality of dendritic foldamers to form reverse micelle in the interior of helical motif containing many reactive sites. Results:: Inside the dendritic foldamer, the substrates are adequately concentrated, work together in cooperation for ligand-binding, and stabilize the transition state as in enzymes that helps to accelerate the reaction rate many times greater than in bulk solution. Conclusion:: An unrivalled reaction rate and high yield of products were obtained within a short time in both Knoevenagel and Mannich reactions by using dendritic foldamers as catalysts.","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":" 18","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135191492","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}
Aim: To develop a green protocol for the one-pot synthesis of biologically active 4- substituted-1,5-benzodiazepine derivatives. Background: Benzodiazepines acquired significant attention in medicinal chemistry owing to their wide spectrum of biological and pharmacological activities such as anti-HIV (reverse transcriptase inhibitor) drugs, HIV-1 protease inhibiting, hepatitis C virus (HCNV) NS5B, anti-malarial, antibacterial, anti-inflammatory, anti-depressant, anti-coagulant, analgesic agents, anti-cancer, cholecystokinin- B receptor antagonists. It was made through three-component condensation of 1,2-diamine, 1,3-cyclic diketone and an aldehyde under various conditions such as (COOH)2/H2O, AcOH/EtOH. Method: 1. To develop simple, convenient and environmentally benign green protocol for the onepot synthesis of 4-substituted-1,5-benzodiazepines through three-component reaction of 1,2-diamine, 1,3-cyclic diketone with an aldehyde catalyzed by water extract of onion. 2. To optimize the reaction conditions. 3. To study scope and mechanism of the reaction 4. To characterize the structure by single crystal X-ray analysis. Result: Finally, EtOH and 0.5 mL of onion extract are suitable for reaction conditions. 4. To examine the electronic effect on reaction time and yields, the aromatic aldehydes having electron releasing functional group such as 4-OH, 4-N,N-dimethyl, 4-OMe, 4-Me, phenyl, and 3,4-dimethoxy gave the desired product in good yields. (90-92%; 5a-5e and 5m). The aromatic aldehydes bearing electron withdrawing group such as 4-Br, 4-Cl, 4-F, 4-CF3, 4-CN, 4-NO2, 3,4-dichloro, 3-bromo- 4-fluoro gave excellent yields (93-97%; 5f-5k, 5n and 5o). 5. Further, to expand the diamine substrates, we have employed 4-hydroxybenzaldehyde 4a, benzaldehyde 4e and 4-nitrobenzaldehyde 4k as model substrates and examined different diamines (4-methylbenzene-1,2-diamine 1b and 4- chlorobenzene-1,2-diamine 1c) with dimedone 2a and gave good yields (89-92%; 5v-5z and 5aa. 6. substituted-1,5-benzodiazepines. Further, the methodology was applied to large-scale reactions. Conclusion: In conclusion, employing aqueous onion extract as a gentle, affordable catalyst, we have developed a simple, effective, and environmentally friendly method for the synthesis of 4- substituted-1,5-benzodiazepines derivatives from 1,2-diamine, diketone, and an aldehyde. Excellent yields, simple workup, inexpensive, non-toxic, and environment-friendly reaction conditions are the prominent features of this procedure.
{"title":"Water Extract of Onion Catalyst: A Sustainable Approach for the Synthesis of 4-Substituted 1,5-Benzodiazepine Derivatives via an In Situ Generated Enaminones","authors":"Loganathan Selvaraj, Rajendran Eswaran, Vennila Kailasam Natesan, Seenivasa Perumal Muthu","doi":"10.2174/0122133372276924231106052151","DOIUrl":"https://doi.org/10.2174/0122133372276924231106052151","url":null,"abstract":"Aim: To develop a green protocol for the one-pot synthesis of biologically active 4- substituted-1,5-benzodiazepine derivatives. Background: Benzodiazepines acquired significant attention in medicinal chemistry owing to their wide spectrum of biological and pharmacological activities such as anti-HIV (reverse transcriptase inhibitor) drugs, HIV-1 protease inhibiting, hepatitis C virus (HCNV) NS5B, anti-malarial, antibacterial, anti-inflammatory, anti-depressant, anti-coagulant, analgesic agents, anti-cancer, cholecystokinin- B receptor antagonists. It was made through three-component condensation of 1,2-diamine, 1,3-cyclic diketone and an aldehyde under various conditions such as (COOH)2/H2O, AcOH/EtOH. Method: 1. To develop simple, convenient and environmentally benign green protocol for the onepot synthesis of 4-substituted-1,5-benzodiazepines through three-component reaction of 1,2-diamine, 1,3-cyclic diketone with an aldehyde catalyzed by water extract of onion. 2. To optimize the reaction conditions. 3. To study scope and mechanism of the reaction 4. To characterize the structure by single crystal X-ray analysis. Result: Finally, EtOH and 0.5 mL of onion extract are suitable for reaction conditions. 4. To examine the electronic effect on reaction time and yields, the aromatic aldehydes having electron releasing functional group such as 4-OH, 4-N,N-dimethyl, 4-OMe, 4-Me, phenyl, and 3,4-dimethoxy gave the desired product in good yields. (90-92%; 5a-5e and 5m). The aromatic aldehydes bearing electron withdrawing group such as 4-Br, 4-Cl, 4-F, 4-CF3, 4-CN, 4-NO2, 3,4-dichloro, 3-bromo- 4-fluoro gave excellent yields (93-97%; 5f-5k, 5n and 5o). 5. Further, to expand the diamine substrates, we have employed 4-hydroxybenzaldehyde 4a, benzaldehyde 4e and 4-nitrobenzaldehyde 4k as model substrates and examined different diamines (4-methylbenzene-1,2-diamine 1b and 4- chlorobenzene-1,2-diamine 1c) with dimedone 2a and gave good yields (89-92%; 5v-5z and 5aa. 6. substituted-1,5-benzodiazepines. Further, the methodology was applied to large-scale reactions. Conclusion: In conclusion, employing aqueous onion extract as a gentle, affordable catalyst, we have developed a simple, effective, and environmentally friendly method for the synthesis of 4- substituted-1,5-benzodiazepines derivatives from 1,2-diamine, diketone, and an aldehyde. Excellent yields, simple workup, inexpensive, non-toxic, and environment-friendly reaction conditions are the prominent features of this procedure.","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":" 29","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135191489","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}
Abstract: Over the past decade, heterocyclic compounds and their derivatives have emerged as promising substances with potential pharmacological applications due to their interesting biological properties. The significance of heterocyclic compounds in drug discovery and development is evident from the fact that a majority of drugs in the pharmaceutical market incorporate heterocyclic compounds as active substances or ingredients. Various synthetic methods and advancements have been devised to prepare these heterocyclic compounds using diverse catalysts under mild conditions. Layered double hydroxides (LDHs)-based materials have gained considerable attention across different fields, and their usability can be significantly enhanced via the selection of metal cations, their molar ratios, surface complexation, and intercalation modifications. The synthesis and application of LDH-based materials as catalysts have garnered increasing interest due to their exceptional properties. Moreover, LDH-based materials have found extensive use as heterogeneous catalysts in the synthesis of numerous heterocyclic compounds. This review presents the latest developments in the catalytic application of LDH-based materials as solid heterogeneous catalysts in the synthesis of heterocyclic compounds, covering literature published from 2018 to 2023.
{"title":"A Review on the Recent Progress of Layered Double Hydroxides (LDHs)- based Catalysts for Heterocyclic Synthesis","authors":"Khadija El Farouki, Marieme Kacem, Mustapha Dib, Hajiba Ouchetto, Abderrafia Hafid, Mostafa Khouili","doi":"10.2174/0122133372264682231019101634","DOIUrl":"https://doi.org/10.2174/0122133372264682231019101634","url":null,"abstract":"Abstract: Over the past decade, heterocyclic compounds and their derivatives have emerged as promising substances with potential pharmacological applications due to their interesting biological properties. The significance of heterocyclic compounds in drug discovery and development is evident from the fact that a majority of drugs in the pharmaceutical market incorporate heterocyclic compounds as active substances or ingredients. Various synthetic methods and advancements have been devised to prepare these heterocyclic compounds using diverse catalysts under mild conditions. Layered double hydroxides (LDHs)-based materials have gained considerable attention across different fields, and their usability can be significantly enhanced via the selection of metal cations, their molar ratios, surface complexation, and intercalation modifications. The synthesis and application of LDH-based materials as catalysts have garnered increasing interest due to their exceptional properties. Moreover, LDH-based materials have found extensive use as heterogeneous catalysts in the synthesis of numerous heterocyclic compounds. This review presents the latest developments in the catalytic application of LDH-based materials as solid heterogeneous catalysts in the synthesis of heterocyclic compounds, covering literature published from 2018 to 2023.","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":"67 6","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136311424","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 : 2023-10-20DOI: 10.2174/0122133372264656231004032920
Archana Kapoor, Mithlesh Yadav
Background:: Indazole is a heterocyclic motif widely used in medicinal chemistry due to its positive photophysical properties. The development of new methods for synthesizing the indazole scaffold is of great importance in drug discovery. Methods:: This study presents a detailed review of current advances in indazole synthesis, focusing on catalyst-based and green chemistry approaches. The analysis is classified based on acid-base and transition-metal catalysts and green chemistry methods. Catalyst-based advances have given a new impetus to the synthesis of this effective pharmacophore. Results:: The extensive literature on indazole synthesis demonstrates the notable progress achieved through catalyst-based approaches. These methods have enabled researchers to create a wide range of indazole derivatives and analogs, facilitating their application in pharmaceutical products and organic molecules. The use of acid-base and transition-metal catalysts has been particularly effective in enhancing the efficiency and selectivity of indazole synthesis. Conclusion:: Indazoles and their variants are widely used in pharmaceutical products and organic molecules. The recent literature indicates that catalyst-based approaches have resulted in significant advancements in indazole synthesis. This review may be useful for researchers in medicinal chemistry, content chemistry, and agrochemistry.
{"title":"Advances in Synthesis of Indazole Variants: A Comprehensive Review of Transition Metal, Acid/Base and Green Chemistry-based Catalytic Approaches","authors":"Archana Kapoor, Mithlesh Yadav","doi":"10.2174/0122133372264656231004032920","DOIUrl":"https://doi.org/10.2174/0122133372264656231004032920","url":null,"abstract":"Background:: Indazole is a heterocyclic motif widely used in medicinal chemistry due to its positive photophysical properties. The development of new methods for synthesizing the indazole scaffold is of great importance in drug discovery. Methods:: This study presents a detailed review of current advances in indazole synthesis, focusing on catalyst-based and green chemistry approaches. The analysis is classified based on acid-base and transition-metal catalysts and green chemistry methods. Catalyst-based advances have given a new impetus to the synthesis of this effective pharmacophore. Results:: The extensive literature on indazole synthesis demonstrates the notable progress achieved through catalyst-based approaches. These methods have enabled researchers to create a wide range of indazole derivatives and analogs, facilitating their application in pharmaceutical products and organic molecules. The use of acid-base and transition-metal catalysts has been particularly effective in enhancing the efficiency and selectivity of indazole synthesis. Conclusion:: Indazoles and their variants are widely used in pharmaceutical products and organic molecules. The recent literature indicates that catalyst-based approaches have resulted in significant advancements in indazole synthesis. This review may be useful for researchers in medicinal chemistry, content chemistry, and agrochemistry.","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":"179 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135617822","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 : 2023-10-10DOI: 10.2174/2213337210666230809141610
Alberto Boretti, Bimal K. Banik
Abstract: Here we review the available literature for the specific use of Ivermectin against COVID-19 infection. Currently, 204 works have been published presenting the results of ivermectin use for COVID-19. 156 are peer-reviewed, and 96 are comparing treatment and control groups. Ivermectin was adopted for early treatment in all or part of 22 countries (39 including non-government medical organizations). The 96 studies of Ivermectin for COVID-19 were published by 1,030 scientists, reporting the cases of 135,554 patients in 27 countries. These studies show a statistically significant improvement in mortality, ventilation, ICU, hospitalization, recovery, cases, and viral clearance. Specifically, improvements recorded were 85%, 62%, and 43% for prophylaxis, early, and late treatment, with confidence intervals (CI) [77-90%], [51-70%], [28-54%] respectively. A 56% improvement was recorded in the 45 randomized controlled trials (RCTs) with CI [41-68%]. A 51% lower mortality was evidenced from 49 studies with CI [37-61%]. In February 2021, when the war on Ivermectin started in the West, it was clear that this drug had positive effects, working in-vivo/in-vitro, and delivering mostly positive results in clinical trials. More widespread use of Ivermectin could have saved many people, and suppression of this drug in many countries that had very high cumulative fatalities per million people has been a very unfortunate occurrence for science.
{"title":"More Widespread use of Ivermectin for the Treatment of COVID-19 Infec-tion could have Saved Many","authors":"Alberto Boretti, Bimal K. Banik","doi":"10.2174/2213337210666230809141610","DOIUrl":"https://doi.org/10.2174/2213337210666230809141610","url":null,"abstract":"Abstract: Here we review the available literature for the specific use of Ivermectin against COVID-19 infection. Currently, 204 works have been published presenting the results of ivermectin use for COVID-19. 156 are peer-reviewed, and 96 are comparing treatment and control groups. Ivermectin was adopted for early treatment in all or part of 22 countries (39 including non-government medical organizations). The 96 studies of Ivermectin for COVID-19 were published by 1,030 scientists, reporting the cases of 135,554 patients in 27 countries. These studies show a statistically significant improvement in mortality, ventilation, ICU, hospitalization, recovery, cases, and viral clearance. Specifically, improvements recorded were 85%, 62%, and 43% for prophylaxis, early, and late treatment, with confidence intervals (CI) [77-90%], [51-70%], [28-54%] respectively. A 56% improvement was recorded in the 45 randomized controlled trials (RCTs) with CI [41-68%]. A 51% lower mortality was evidenced from 49 studies with CI [37-61%]. In February 2021, when the war on Ivermectin started in the West, it was clear that this drug had positive effects, working in-vivo/in-vitro, and delivering mostly positive results in clinical trials. More widespread use of Ivermectin could have saved many people, and suppression of this drug in many countries that had very high cumulative fatalities per million people has been a very unfortunate occurrence for science.","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":"89 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136357866","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}
This review highlights synthetic developments of anti-tubercular agents by using organocatalysts. Organocatalysts-mediated synthesis is environmentally benign and highly compatible with aqueous-solvent systems, and such catalysts are attractive because of their inexpensive cost, low toxicity, good air and moisture stability and follow many principles of green chemistry. Numerous anti-tuberculosis agents have been synthesized utilizing organocatalysts and tested for their in-vivo and in-vitro anti-mycobacterial activity against Mycobacterium tuberculosis H37Rv pathogens. The inhibitory concentrations of the reported compounds were compared with the standard reference drugs in order to evaluate their inhibition potency.
{"title":"Organocatalyzed Synthesis of Anti-tubercular Agents","authors":"Sunil Sharma, Kavita Singh, Rakhi Yadav, Ramesh Kumar, Ram Sagar","doi":"10.2174/2213337210666230901141841","DOIUrl":"https://doi.org/10.2174/2213337210666230901141841","url":null,"abstract":"\u0000\u0000This review highlights synthetic developments of anti-tubercular agents by using organocatalysts. Organocatalysts-mediated synthesis is environmentally benign and highly compatible with aqueous-solvent systems, and such catalysts are attractive because of their inexpensive cost, low toxicity, good air and moisture stability and follow many principles of green chemistry. Numerous anti-tuberculosis agents have been synthesized utilizing organocatalysts and tested for their in-vivo and in-vitro anti-mycobacterial activity against Mycobacterium tuberculosis H37Rv pathogens. The inhibitory concentrations of the reported compounds were compared with the standard reference drugs in order to evaluate their inhibition potency.\u0000","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48250969","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 : 2023-09-01DOI: 10.2174/2213337210666230901161332
M. A. Mir, Kim Andrews, Mohammad Waqar Ashraf, Anuj Kumar, Dharmendra Kumar, Anita Bisht, Reeta Chauhan, Shailendra Prakash
Catechol is a phenolic molecule found naturally in plants. It is also known as pyrogallic acid or 1, 2-dihydroxybenzene. Catechol is currently produced commercially by decarboxylating gallic acid at high temperatures and pressures. This research aimed to understand the biological importance of catechol and perform molecular structural analysis on catechol molecules. Catechol (1, 2, dihydroxy benzene) was studied via computational analysis by employing the use of DFT and B3LYP methods. Hirshfeld analysis was carried out to investigate crystal intermolecular interactions, and the NBO study was performed to study chemical donating and accepting interactions. Moreover, the computational study was performed using FTIR, HNMR and other instrumentation like AIM theory for circular dichroism data. Furthermore, the surface iso-projection study and binding energy results did prove to run in alignment with experimentally obtained values from the computational studies. Fukui functional study and molecular electrostatic potential were utilized in the study to investigate interactions between anionic and cationic sites of catechol. In addition, molecular dynamic simulations revealed that biomolecular stability was also present. Thus, the antibiotic efficacy of catechol displayed chemical oxidative interactions that exhibited close chemical correlations with ascorbic acid, ellagic acid, and gallic acid. The catechol has been examined experimentally and theoretically. The results were compared with catechol spectra, including IR and UV-visible spectra generated through computer analysis. The experimentally observed spectra were found to be in parallel with theoretical data. According to drug-likeness investigations, the following compounds, gallic acid, ellagic acid, and ascorbic acid, were found to be closely related to catechol as an antibiotic. Hence, it can be concluded that catechol, whether in its entirety or in a portion, is a potent antibacterial, anti-inflammatory, and anti-malarial drug.
{"title":"The Molecular Structural Analysis of Biologically Important Catechol Molecule: An Integrative Perspective from Experiments and Futuristic Tools","authors":"M. A. Mir, Kim Andrews, Mohammad Waqar Ashraf, Anuj Kumar, Dharmendra Kumar, Anita Bisht, Reeta Chauhan, Shailendra Prakash","doi":"10.2174/2213337210666230901161332","DOIUrl":"https://doi.org/10.2174/2213337210666230901161332","url":null,"abstract":"\u0000\u0000Catechol is a phenolic molecule found naturally in plants. It is also known as pyrogallic acid or 1, 2-dihydroxybenzene. Catechol is currently produced commercially by decarboxylating gallic acid at high temperatures and pressures.\u0000\u0000\u0000\u0000This research aimed to understand the biological importance of catechol and perform molecular structural analysis on catechol molecules.\u0000\u0000\u0000\u0000Catechol (1, 2, dihydroxy benzene) was studied via computational analysis by employing the use of DFT and B3LYP methods. Hirshfeld analysis was carried out to investigate crystal intermolecular interactions, and the NBO study was performed to study chemical donating and accepting interactions. Moreover, the computational study was performed using FTIR, HNMR and other instrumentation like AIM theory for circular dichroism data.\u0000\u0000\u0000\u0000Furthermore, the surface iso-projection study and binding energy results did prove to run in alignment with experimentally obtained values from the computational studies. Fukui functional study and molecular electrostatic potential were utilized in the study to investigate interactions between anionic and cationic sites of catechol. In addition, molecular dynamic simulations revealed that biomolecular stability was also present. Thus, the antibiotic efficacy of catechol displayed chemical oxidative interactions that exhibited close chemical correlations with ascorbic acid, ellagic acid, and gallic acid.\u0000\u0000\u0000\u0000The catechol has been examined experimentally and theoretically. The results were compared with catechol spectra, including IR and UV-visible spectra generated through computer analysis. The experimentally observed spectra were found to be in parallel with theoretical data. According to drug-likeness investigations, the following compounds, gallic acid, ellagic acid, and ascorbic acid, were found to be closely related to catechol as an antibiotic. Hence, it can be concluded that catechol, whether in its entirety or in a portion, is a potent antibacterial, anti-inflammatory, and anti-malarial drug.\u0000","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45194988","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 : 2023-08-16DOI: 10.2174/2213337210666230816091246
M. Mir, M. Jassal, K. Andrews
Computational Quantum and Spectroscopic analysis of 4-Hydroxy-1-Naphthaldehyde Known also as 4-Hydroxynaphthalene-1-carbaldehyde, 4-hydroxy-1-naphthaldehyde (4H1NA) is a crucial precursor of many coordinating agents. A commercial compound called 4-hydroxy-1-naphthaldehyde (4H1NA) can be used to make a number of different sensors. In the development of many chemosensors, they operate effectively as a functionalized fluorescent backbone. Molecular Dynamic, Hirshfeld Surface, Computational Quantum analysis of Naphthaldehyde. The methods employed in the analysis of the compound involve the DFT calculations, using DFT method and B3LYP/6-311++G (d, p) basis set with respect to its FTIR, NMR, and UV-Visible spectrum. The NMR chemical shifts of carbon and protons in CDCl3 was determined by GIAO method. For the molecule of reference, HOMO-LUMO and Donor-Acceptor interactions were also taken into consideration. Investigations also looked into ELF, Fukui activity, and nonlinear optical properties. The investigation of the compound at its atomic level was analysed using the computational methods so that chemical, medicinal, and environmental research make use of them to make the molecule more in an improved form with distinguished properties. Strong interaction has been produced as a result of electron transfer from the oxygen atoms lone pair LP (2) to the anti-bonding orbital *(C3-C5) with a significant stabilization energy of 42.61kcal/mol. The attributes of the NLO molecule were calculated and found to be superior to those of the urea molecule, with linear and first order hyper polarizability situation. Our findings imply that the reference molecule can be a heavier contender for NLO as a surface material and could be considered as a vital substance for medicine purpose in the drug industry due to its maximum electrophilicity index. A commercial compound called 4-hydroxy-1-naphthaldehyde (4H1NA) can be used to make a number of different sensors. The compound has good structural and optical properties. They can be employed for a variety of optical limiting applications because of their unusual optical characteristic, which exhibits third-order nonlinear behavior.
{"title":"Molecular Dynamic, Hirshfeld Surface, Computational Quantum and Spectroscopic analysis of 4-Hydroxy-1-Naphthaldehyde","authors":"M. Mir, M. Jassal, K. Andrews","doi":"10.2174/2213337210666230816091246","DOIUrl":"https://doi.org/10.2174/2213337210666230816091246","url":null,"abstract":"\u0000\u0000Computational Quantum and Spectroscopic analysis of 4-Hydroxy-1-Naphthaldehyde\u0000\u0000\u0000\u0000Known also as 4-Hydroxynaphthalene-1-carbaldehyde, 4-hydroxy-1-naphthaldehyde (4H1NA) is a crucial precursor of many coordinating agents. A commercial compound called 4-hydroxy-1-naphthaldehyde (4H1NA) can be used to make a number of different sensors. In the development of many chemosensors, they operate effectively as a functionalized fluorescent backbone.\u0000\u0000\u0000\u0000Molecular Dynamic, Hirshfeld Surface, Computational Quantum analysis of Naphthaldehyde.\u0000\u0000\u0000\u0000The methods employed in the analysis of the compound involve the DFT calculations, using DFT method and B3LYP/6-311++G (d, p) basis set with respect to its FTIR, NMR, and UV-Visible spectrum. The NMR chemical shifts of carbon and protons in CDCl3 was determined by GIAO method. For the molecule of reference, HOMO-LUMO and Donor-Acceptor interactions were also taken into consideration. Investigations also looked into ELF, Fukui activity, and nonlinear optical properties.\u0000\u0000\u0000\u0000The investigation of the compound at its atomic level was analysed using the computational methods so that chemical, medicinal, and environmental research make use of them to make the molecule more in an improved form with distinguished properties. Strong interaction has been produced as a result of electron transfer from the oxygen atoms lone pair LP (2) to the anti-bonding orbital *(C3-C5) with a significant stabilization energy of 42.61kcal/mol. The attributes of the NLO molecule were calculated and found to be superior to those of the urea molecule, with linear and first order hyper polarizability situation. Our findings imply that the reference molecule can be a heavier contender for NLO as a surface material and could be considered as a vital substance for medicine purpose in the drug industry due to its maximum electrophilicity index.\u0000\u0000\u0000\u0000A commercial compound called 4-hydroxy-1-naphthaldehyde (4H1NA) can be used to make a number of different sensors. The compound has good structural and optical properties. They can be employed for a variety of optical limiting applications because of their unusual optical characteristic, which exhibits third-order nonlinear behavior.\u0000","PeriodicalId":10945,"journal":{"name":"Current Organocatalysis","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44469833","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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