D. Dzhalilova, A. Kosyreva, P. Vishnyakova, I. Tsvetkov, N. Zolotova, V. Mkhitarov, O. Makarova
An organism’s hypoxia tolerance depends on many factors, including age. High newborn organism tolerance and high levels of oxidative stress throughout aging have been demonstrated by many studies. However, there is still lack of investigations reflecting the intensity of systemic inflammatory response in organisms of different ages in correlation to hypoxia tolerance. The aim of this study was to determine the relationship between age-related tolerance to hypoxia, HIF-1 and PHD2 (prolyl hydroxylase domain protein) expression levels and the intensity of systemic inflammatory response in newborn, prepubertal and adult Wistar rats. In case of investigation of the tolerance to hypoxia, rats were placed into a decompression chamber at altitude simulation of 11,500 m. It was demonstrated that prepubertal rats are the least tolerant to hypoxia and newborns are the most tolerant. Newborn rats are characterized by high mRNA Hif-1α expression level in the liver, accompanied by low content of HIF-1 protein and a high level of PHD2. The growth in HIF-1α protein level with age is accompanied by growth in the level of proinflammatory cytokines. Prepubertal animals are the least hypoxia tolerant, and their HIF-1α mRNA expression level was higher than in adult animals. The PHD2 activity in prepubertal animals was significantly reduced in comparison to newborn rats, and the HIF-1α protein level was not changed. The lowest tolerance of the prepubertal males to hypoxia correlated with the greatest manifestations of hepatic inflammation and elevated endotoxin, neopterin, and C-reactive protein levels in LPS-induced systemic inflammatory response. The growth in serum HIF-1α 3 h after LPS injection was observed only in prepubertal rats. The obtained data should be taken into account during the development of a therapeutic strategy for prepubertal children with infectious and inflammatory diseases. Hopefully, this study will provide new insights into age-related differences in tolerance to hypoxia. The possible perspectives of this investigation could be understanding the aspects of HIF-1 mRNA and protein expression in aged animals. Moreover, further studies are required for the identification of additional mechanisms to determine HIF-1α protein level regulation in prepubertal animals.
{"title":"Age-Related Features in Systemic Inflammatory Response in Male Wistar Rats with Different Hypoxia Tolerance","authors":"D. Dzhalilova, A. Kosyreva, P. Vishnyakova, I. Tsvetkov, N. Zolotova, V. Mkhitarov, O. Makarova","doi":"10.3390/ecms2021-10831","DOIUrl":"https://doi.org/10.3390/ecms2021-10831","url":null,"abstract":"An organism’s hypoxia tolerance depends on many factors, including age. High newborn organism tolerance and high levels of oxidative stress throughout aging have been demonstrated by many studies. However, there is still lack of investigations reflecting the intensity of systemic inflammatory response in organisms of different ages in correlation to hypoxia tolerance. The aim of this study was to determine the relationship between age-related tolerance to hypoxia, HIF-1 and PHD2 (prolyl hydroxylase domain protein) expression levels and the intensity of systemic inflammatory response in newborn, prepubertal and adult Wistar rats. In case of investigation of the tolerance to hypoxia, rats were placed into a decompression chamber at altitude simulation of 11,500 m. It was demonstrated that prepubertal rats are the least tolerant to hypoxia and newborns are the most tolerant. Newborn rats are characterized by high mRNA Hif-1α expression level in the liver, accompanied by low content of HIF-1 protein and a high level of PHD2. The growth in HIF-1α protein level with age is accompanied by growth in the level of proinflammatory cytokines. Prepubertal animals are the least hypoxia tolerant, and their HIF-1α mRNA expression level was higher than in adult animals. The PHD2 activity in prepubertal animals was significantly reduced in comparison to newborn rats, and the HIF-1α protein level was not changed. The lowest tolerance of the prepubertal males to hypoxia correlated with the greatest manifestations of hepatic inflammation and elevated endotoxin, neopterin, and C-reactive protein levels in LPS-induced systemic inflammatory response. The growth in serum HIF-1α 3 h after LPS injection was observed only in prepubertal rats. The obtained data should be taken into account during the development of a therapeutic strategy for prepubertal children with infectious and inflammatory diseases. Hopefully, this study will provide new insights into age-related differences in tolerance to hypoxia. The possible perspectives of this investigation could be understanding the aspects of HIF-1 mRNA and protein expression in aged animals. Moreover, further studies are required for the identification of additional mechanisms to determine HIF-1α protein level regulation in prepubertal animals.","PeriodicalId":147460,"journal":{"name":"Medical Sciences Forum","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115024949","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}
Anisakiasis is a human parasitic infection caused by the larvae of the Anisakis nematode through the consumption of raw or undercooked seafood, namely fish and cephalopods. To date, no effective drug has been uncovered and common anthelmintic treatments seem to have reduced activity against this parasite. Essential oils (EOs) are an unexplored source of natural products able to counteract Anisakis. The present work reviews the available literature on EOs tested in vitro against Anisakis nematodes and compiles the activity and composition of the most active EOs. Over a dozen plant species were used as sources of EOs, mainly from the Asteraceae, Lamiaceae, Apiaceae and Myrtaceae families. The lowest half maximal effective concentrations (EC50) were reported for Origanum syriacum and O. compactum EOs, both rich in carvacrol (83% and 50%, respectively). The EOs extracted from Tagetes minuta and Nepeta cataria were reported as the fastest acting, with half maximal effective times (ET50) under 4 h, and were rich in geraniol (55%) or β-ocimene (36%) and limonene (27%), respectively. Given their complex chemical composition, additive, synergistic and antagonistic interactions between EO compounds can be responsible for EO activity. A deeper analysis of the chemical structures that are active against Anisakis, and the nature of their interactions, can be unveiled with further studies on this parasitosis.
{"title":"Anti-Nematodal Essential Oils with Activity against Anisakis","authors":"Jorge M. S. Faria, I. Silva","doi":"10.3390/ecms2021-10827","DOIUrl":"https://doi.org/10.3390/ecms2021-10827","url":null,"abstract":"Anisakiasis is a human parasitic infection caused by the larvae of the Anisakis nematode through the consumption of raw or undercooked seafood, namely fish and cephalopods. To date, no effective drug has been uncovered and common anthelmintic treatments seem to have reduced activity against this parasite. Essential oils (EOs) are an unexplored source of natural products able to counteract Anisakis. The present work reviews the available literature on EOs tested in vitro against Anisakis nematodes and compiles the activity and composition of the most active EOs. Over a dozen plant species were used as sources of EOs, mainly from the Asteraceae, Lamiaceae, Apiaceae and Myrtaceae families. The lowest half maximal effective concentrations (EC50) were reported for Origanum syriacum and O. compactum EOs, both rich in carvacrol (83% and 50%, respectively). The EOs extracted from Tagetes minuta and Nepeta cataria were reported as the fastest acting, with half maximal effective times (ET50) under 4 h, and were rich in geraniol (55%) or β-ocimene (36%) and limonene (27%), respectively. Given their complex chemical composition, additive, synergistic and antagonistic interactions between EO compounds can be responsible for EO activity. A deeper analysis of the chemical structures that are active against Anisakis, and the nature of their interactions, can be unveiled with further studies on this parasitosis.","PeriodicalId":147460,"journal":{"name":"Medical Sciences Forum","volume":"28 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123597099","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}
Magdalena Strachowska, Maciej Sobczak, K. Gronkowska, A. Robaszkiewicz
Under the influence of many factors, such as cytokines or chemokines, macrophages specialize into two subpopulations: pro-inflammatory M1 (classical pathway) or anti-inflammatory M2 macrophages (alternative pathway). Upon stimulation with the bacterial ligand PAM3CSK4 and upon stimulation with LPS (Lipopolysaccharide), TLR (toll-like receptors) 1/2 receptors and TLR4, respectively, activate the NFκB pathway, which leads to the downregulation of catalase expression through the activity of the LSD1 and HDAC1 complex. The main factor responsible for CAT repression is the recruitment of LSD1 and HDAC1 to the promoter site of the gene, resulting in the pausing of RNA polymerase. Inhibition of LSD1 with SP2509 leads to a decreased expression of cytokines such as IL1b and COX2, as well as some surface proteins, e.g., TLR2, despite the presence of LPS. iLSD1 prevents the catalase repression and thereby leads to inhibition of macrophage polarization into the classic pro-inflammatory M1 phenotype. In conclusion, the regulation of catalase expression determines the direction of macrophage specialization.
{"title":"Effects of LSD1 Inhibition on Macrophage Specialization into a Pro-Inflammatory Phenotype","authors":"Magdalena Strachowska, Maciej Sobczak, K. Gronkowska, A. Robaszkiewicz","doi":"10.3390/ecms2021-10840","DOIUrl":"https://doi.org/10.3390/ecms2021-10840","url":null,"abstract":"Under the influence of many factors, such as cytokines or chemokines, macrophages specialize into two subpopulations: pro-inflammatory M1 (classical pathway) or anti-inflammatory M2 macrophages (alternative pathway). Upon stimulation with the bacterial ligand PAM3CSK4 and upon stimulation with LPS (Lipopolysaccharide), TLR (toll-like receptors) 1/2 receptors and TLR4, respectively, activate the NFκB pathway, which leads to the downregulation of catalase expression through the activity of the LSD1 and HDAC1 complex. The main factor responsible for CAT repression is the recruitment of LSD1 and HDAC1 to the promoter site of the gene, resulting in the pausing of RNA polymerase. Inhibition of LSD1 with SP2509 leads to a decreased expression of cytokines such as IL1b and COX2, as well as some surface proteins, e.g., TLR2, despite the presence of LPS. iLSD1 prevents the catalase repression and thereby leads to inhibition of macrophage polarization into the classic pro-inflammatory M1 phenotype. In conclusion, the regulation of catalase expression determines the direction of macrophage specialization.","PeriodicalId":147460,"journal":{"name":"Medical Sciences Forum","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124228889","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}
C. Roque-Borda, Bruna Fernandes Antunes, S. R. Teixeira, E. Vicente
The high mortality rate of different multi-resistant bacteria (MDR) has led to an immediate and urgent solution. Patients hospitalized for chronic diseases have a weakened immune system and are at high risk of contracting an opportunistic infection. Likewise, the WHO prioritized studies against a selected group of MDR bacteria for their control [1]. In this scope, the Ctx(Ile21)-Ha antimicrobial peptide (AMP) presented great potential and efficient biological activity against Acinetobacter baumannii and Pseudomonas aureginosa MDR bacteria [2,3,4]. Thus, the aim of this research was to design ultrasound-assisted micro-structured films loaded with the Ctx(Ile21)-Ha AMP, based on starch and chitosan, for its effective protective action. Gelling was performed for grain breaking and to expose the hydroxyls [5]. For this, 10 g of cornstarch was used as well as 300 mL of distilled water under agitation at 90 °C for 1 h. Then, 5 mL of the gelled starch was added and mixed with 50 mg of peptide. Then, it was stored in petri dishes at 50 °C for 5 h. Chitosan film was synthesized by free-radical polymerization in the presence of crosslinker [6]. Chitosan dispersion (CD) was prepared by dissolving 2% w/v chitosan in 2% v/v acetic acid solution. Ctx(Ile21)-Ha was placed on the CD with 0.3% w/v of glycerol and magnetic agitation at 150 rpm. For this, its properties were evaluated by DSC/TGA, FTIR, XRD, and SEM. The physicochemical stability studies of the AMP showed its structure unchanged for up to 3 months exposed to water and for up to one year in the form of a dry film. These results were confirmed by the LC/MS profile, in which XDR indicates a consistent semi-morpho phase. Finally, with these results, we check its stability and protective potential over time and, based on previously published results on their activity against MDR bacteria [2], we conclude that the new products based on AMPs could be potential anti-MDR bacterial agents, avoiding the exposure of critically ill patients in intensive care or post-surgery beds and preventing their dissemination.
{"title":"Potential Protective Activity and Stability of Cornstarch/Chitosan Films Loaded with the Ctx(Ile21)-Ha Antimicrobial Peptide †","authors":"C. Roque-Borda, Bruna Fernandes Antunes, S. R. Teixeira, E. Vicente","doi":"10.3390/ecms2021-10837","DOIUrl":"https://doi.org/10.3390/ecms2021-10837","url":null,"abstract":"The high mortality rate of different multi-resistant bacteria (MDR) has led to an immediate and urgent solution. Patients hospitalized for chronic diseases have a weakened immune system and are at high risk of contracting an opportunistic infection. Likewise, the WHO prioritized studies against a selected group of MDR bacteria for their control [1]. In this scope, the Ctx(Ile21)-Ha antimicrobial peptide (AMP) presented great potential and efficient biological activity against Acinetobacter baumannii and Pseudomonas aureginosa MDR bacteria [2,3,4]. Thus, the aim of this research was to design ultrasound-assisted micro-structured films loaded with the Ctx(Ile21)-Ha AMP, based on starch and chitosan, for its effective protective action. Gelling was performed for grain breaking and to expose the hydroxyls [5]. For this, 10 g of cornstarch was used as well as 300 mL of distilled water under agitation at 90 °C for 1 h. Then, 5 mL of the gelled starch was added and mixed with 50 mg of peptide. Then, it was stored in petri dishes at 50 °C for 5 h. Chitosan film was synthesized by free-radical polymerization in the presence of crosslinker [6]. Chitosan dispersion (CD) was prepared by dissolving 2% w/v chitosan in 2% v/v acetic acid solution. Ctx(Ile21)-Ha was placed on the CD with 0.3% w/v of glycerol and magnetic agitation at 150 rpm. For this, its properties were evaluated by DSC/TGA, FTIR, XRD, and SEM. The physicochemical stability studies of the AMP showed its structure unchanged for up to 3 months exposed to water and for up to one year in the form of a dry film. These results were confirmed by the LC/MS profile, in which XDR indicates a consistent semi-morpho phase. Finally, with these results, we check its stability and protective potential over time and, based on previously published results on their activity against MDR bacteria [2], we conclude that the new products based on AMPs could be potential anti-MDR bacterial agents, avoiding the exposure of critically ill patients in intensive care or post-surgery beds and preventing their dissemination.","PeriodicalId":147460,"journal":{"name":"Medical Sciences Forum","volume":"37 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129522277","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}
Yuliana Zabolotna, P. Ertl, D. Horvath, F. Bonachéra, G. Marcou, A. Varnek
Over the last few billion years, countless organisms populating our planet have produced an extensive reserve of very diverse chemicals called natural products (NPs). Over time, these compounds have evolved to exhibit a wide range of bioactivity and high selectivity in different organisms. That makes them an extremely important source of potential drugs. However, considering the number of reported NPs and their high diversity, it becomes hard to explore the respective chemical space in drug design. In order to simplify this task, we have developed NP Navigator, a free, user friendly online tool allowing the navigation and analysis of the chemical space of NPs and NP-like compounds [1,2]. The basis of this tool is a hierarchical ensemble of 241 Generative Topographic Maps (GTM) [3,4], visualizing chemical space of NPs from the COlleCtion of Open Natural ProductTs (COCONUT) [5], molecules with some biological activity from ChEMBL [6], and purchasable compounds from ZINC [7]. NP Navigator can be used for an efficient analysis of various aspects of NPs, including calculated properties, chemotype distribution, biological activity, and commercial availability of NPs. Users can browse through hundreds of thousands of molecules from COCONUT, ZINC, and ChEMBL, selecting a zone of interest based on the color code of the maps, which in turn corresponds to specific values of visualized properties. In addition, it is possible to project several external molecules—“chemical trackers”—to trace regions of the NP chemical space containing compounds with desired structural features. In such a manner, the NP Navigator allows searching for NP and NP-like analogues of user-provided compounds. This study was previously published in Molecular Informatics (10.1002/minf.202100068) [1].
{"title":"NP Navigator: A New Online Tool for the Exploration of the Natural Products Chemical Space","authors":"Yuliana Zabolotna, P. Ertl, D. Horvath, F. Bonachéra, G. Marcou, A. Varnek","doi":"10.3390/ecms2021-10829","DOIUrl":"https://doi.org/10.3390/ecms2021-10829","url":null,"abstract":"Over the last few billion years, countless organisms populating our planet have produced an extensive reserve of very diverse chemicals called natural products (NPs). Over time, these compounds have evolved to exhibit a wide range of bioactivity and high selectivity in different organisms. That makes them an extremely important source of potential drugs. However, considering the number of reported NPs and their high diversity, it becomes hard to explore the respective chemical space in drug design. In order to simplify this task, we have developed NP Navigator, a free, user friendly online tool allowing the navigation and analysis of the chemical space of NPs and NP-like compounds [1,2]. The basis of this tool is a hierarchical ensemble of 241 Generative Topographic Maps (GTM) [3,4], visualizing chemical space of NPs from the COlleCtion of Open Natural ProductTs (COCONUT) [5], molecules with some biological activity from ChEMBL [6], and purchasable compounds from ZINC [7]. NP Navigator can be used for an efficient analysis of various aspects of NPs, including calculated properties, chemotype distribution, biological activity, and commercial availability of NPs. Users can browse through hundreds of thousands of molecules from COCONUT, ZINC, and ChEMBL, selecting a zone of interest based on the color code of the maps, which in turn corresponds to specific values of visualized properties. In addition, it is possible to project several external molecules—“chemical trackers”—to trace regions of the NP chemical space containing compounds with desired structural features. In such a manner, the NP Navigator allows searching for NP and NP-like analogues of user-provided compounds. This study was previously published in Molecular Informatics (10.1002/minf.202100068) [1].","PeriodicalId":147460,"journal":{"name":"Medical Sciences Forum","volume":"39 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128614563","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}
Tuberculosis (TB) is a global health burden especially in tropical countries. Extensive increments in MDR (Multidrug resistance (MDR): Resistance to at least both isoniazid and rifampicin.) and XDR (Extensive drug resistance (XDR): Resistance to any fluoroquinolone, and at least one of three second-line injectable drugs (capreomycin, kanamycin, and amikacin), in addition to multidrug resistance) tuberculosis highlights the ineffectiveness of established anti-TB agents. There is an urgent necessity to identify potent anti-TB agents with unique mechanisms. Green tea and Black tea polyphenols have great potential to inhibit viruses including SARS-COV-2, bacterial strains, etc. In this context, we have screened and identified 65 Green tea bioactive compounds against four mycobacterial pantothenate synthetase and enoyl acyl carrier enzymes. Our molecular docking results revealed that Theaflavin-3-gallate had a higher binding affinity against 2X22 and 3IVX targets with docking scores of −134.13 and −135.592 Kcal/mol, respectively. Furthermore, our molecular dynamics simulations for 10 ns resulted better stabilities of these complexes. We also evaluated in silico drug-likeness and toxicity profiles for the studied polyphenols. Our in silico toxicity analysis suggested that these polyphenols would exhibit lesser toxicity such as eye corrosion, skin irritations, etc. Thus, our present study would provide better insights on studying naturally occurring polyphenols as potential anti-TB agents.
{"title":"Naturally Occurring Green Tea Polyphenols as Anti-Mycobacterial Agents","authors":"Suraj N. Mali, Anima Pandey","doi":"10.3390/ecms2021-10844","DOIUrl":"https://doi.org/10.3390/ecms2021-10844","url":null,"abstract":"Tuberculosis (TB) is a global health burden especially in tropical countries. Extensive increments in MDR (Multidrug resistance (MDR): Resistance to at least both isoniazid and rifampicin.) and XDR (Extensive drug resistance (XDR): Resistance to any fluoroquinolone, and at least one of three second-line injectable drugs (capreomycin, kanamycin, and amikacin), in addition to multidrug resistance) tuberculosis highlights the ineffectiveness of established anti-TB agents. There is an urgent necessity to identify potent anti-TB agents with unique mechanisms. Green tea and Black tea polyphenols have great potential to inhibit viruses including SARS-COV-2, bacterial strains, etc. In this context, we have screened and identified 65 Green tea bioactive compounds against four mycobacterial pantothenate synthetase and enoyl acyl carrier enzymes. Our molecular docking results revealed that Theaflavin-3-gallate had a higher binding affinity against 2X22 and 3IVX targets with docking scores of −134.13 and −135.592 Kcal/mol, respectively. Furthermore, our molecular dynamics simulations for 10 ns resulted better stabilities of these complexes. We also evaluated in silico drug-likeness and toxicity profiles for the studied polyphenols. Our in silico toxicity analysis suggested that these polyphenols would exhibit lesser toxicity such as eye corrosion, skin irritations, etc. Thus, our present study would provide better insights on studying naturally occurring polyphenols as potential anti-TB agents.","PeriodicalId":147460,"journal":{"name":"Medical Sciences Forum","volume":"58 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"117103499","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}
T. Ezeorba, N. Uchendu, E. J. Nweze, Chibuzo K. Okoroafor, Pascal O. Ogbu, Miracle C. Okpara, R. Asomadu, P. Joshua
The devastating nature of the SARS-CoV-2 pandemic has fostered the need for potent therapeutics to manage or curb the disease’s severity. As a response, several studies on drug repurposing, vaccine design and optimizing natural phytochemicals are ongoing. This study aims at screening for potent and novel anti-COVID phytochemicals from the rhizome of Curcuma longa. A phytochemical library of 50 nonubiquitous bioactive compounds from the rhizome of Curcuma longa was retrieved from Dr. Duke’s phytochemical and ethnobotanical database (accessed on 20 April 2021). The compounds in the library were docked against the receptor binding domain (RBD) of SARS-CoV-2 (PDB ID: 7EAM_1). Three compounds—quercetin; 1,7-Bis-(4-hydroxyphenyl)-1-heptene-3,5-dione; and cyclocurcumin, were selected based on their higher docking score than the standard repurposed drug (Arbidol). This study further examined the interactions of the novel 1,7-Bis-(4-hydroxyphenyl)-1-heptene-3,5-dione (BHHD) in the binding pocket as well as its ADMET properties. Excellent interaction was observed between the atoms of BHHD and amino acid residues known to foster the viral entry into the host. Furthermore, the ADMET result for BHHD was impressive for a lead molecule. Therefore, this study recommends for further investigation on the potency and toxicity of BHHD both on cell lines and animal models.
{"title":"A Probable Anti-COVID Phytochemical (1,7-Bis-(4-hydroxyphenyl)-1-heptene-3,5-dione) Screened Computationally from the Rhizome of Curcuma longa ","authors":"T. Ezeorba, N. Uchendu, E. J. Nweze, Chibuzo K. Okoroafor, Pascal O. Ogbu, Miracle C. Okpara, R. Asomadu, P. Joshua","doi":"10.3390/ecms2021-10845","DOIUrl":"https://doi.org/10.3390/ecms2021-10845","url":null,"abstract":"The devastating nature of the SARS-CoV-2 pandemic has fostered the need for potent therapeutics to manage or curb the disease’s severity. As a response, several studies on drug repurposing, vaccine design and optimizing natural phytochemicals are ongoing. This study aims at screening for potent and novel anti-COVID phytochemicals from the rhizome of Curcuma longa. A phytochemical library of 50 nonubiquitous bioactive compounds from the rhizome of Curcuma longa was retrieved from Dr. Duke’s phytochemical and ethnobotanical database (accessed on 20 April 2021). The compounds in the library were docked against the receptor binding domain (RBD) of SARS-CoV-2 (PDB ID: 7EAM_1). Three compounds—quercetin; 1,7-Bis-(4-hydroxyphenyl)-1-heptene-3,5-dione; and cyclocurcumin, were selected based on their higher docking score than the standard repurposed drug (Arbidol). This study further examined the interactions of the novel 1,7-Bis-(4-hydroxyphenyl)-1-heptene-3,5-dione (BHHD) in the binding pocket as well as its ADMET properties. Excellent interaction was observed between the atoms of BHHD and amino acid residues known to foster the viral entry into the host. Furthermore, the ADMET result for BHHD was impressive for a lead molecule. Therefore, this study recommends for further investigation on the potency and toxicity of BHHD both on cell lines and animal models.","PeriodicalId":147460,"journal":{"name":"Medical Sciences Forum","volume":"27 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114452943","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}
L. Varela-Rodríguez, J. Velázquez-Domínguez, V. Hernández-Ramírez, Hugo Varela-Rodríguez, Audifás-Salvador Matus-Meza, F. Calzada, E. Bautista, P. Talamás-Rohana
Mafalda Padinha, C. Oliveira, S. Carlos, A. Santos, M. Brito, Carla I. M. Santos, J. Fonseca
Intestinal failure is the reduction in gut function below the minimum necessary for the absorption of macronutrients and/or water electrolytes. The based treatment for type II and III intestinal failure patients is home parenteral nutrition (HPN) and hydration (HPH). This is a case-series study of HPN/HPH patients of the Hospital Garcia de Orta, Portugal, where thirteen patients present different underlying disorders and various IVS needs of nutrition and/or hydration. Most presented type III failure and most of them survived a long period under HPN and/or HNH.
肠衰竭是指肠道功能降低到不能吸收大量营养物质和/或水电解质的最低限度。II型和III型肠衰竭患者的基础治疗是家庭肠外营养(HPN)和水化(HPH)。这是一项针对葡萄牙Garcia de Orta医院HPN/HPH患者的病例系列研究，其中13名患者表现出不同的潜在疾病和各种IVS营养和/或水合需求。大多数患者表现为III型失败，大多数患者在HPN和/或HNH下存活较长时间。
{"title":"Long-Term Intestinal Failure and Home Parenteral Nutrition: A Single Center Experience","authors":"Mafalda Padinha, C. Oliveira, S. Carlos, A. Santos, M. Brito, Carla I. M. Santos, J. Fonseca","doi":"10.3390/msf2021005046","DOIUrl":"https://doi.org/10.3390/msf2021005046","url":null,"abstract":"Intestinal failure is the reduction in gut function below the minimum necessary for the absorption of macronutrients and/or water electrolytes. The based treatment for type II and III intestinal failure patients is home parenteral nutrition (HPN) and hydration (HPH). This is a case-series study of HPN/HPH patients of the Hospital Garcia de Orta, Portugal, where thirteen patients present different underlying disorders and various IVS needs of nutrition and/or hydration. Most presented type III failure and most of them survived a long period under HPN and/or HNH.","PeriodicalId":147460,"journal":{"name":"Medical Sciences Forum","volume":"35 19","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114088141","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}
Marta Costa, S. Neves, Joana Carvalho, S. Arantes-Oliveira, S. Félix
Polymethylmethacrylate is the material of choice for prosthetic bases. Depending on the type of polymerization, acrylic resins may present some mechanical weaknesses that may lead to the failure of a prosthesis. The microhardness and flexural strength of a dental material determine its applicability. The objective of the present investigation was to evaluate the in vitro Knoop microhardness and flexural strength of a thermopolymerizable (Probase Hot) and an autopolymerizable (Probase Cold) resin, according to ISO 20759-1: 2013.
{"title":"In Vitro Comparative Study of Microhardness and Flexural Strength of Acrylic Resins Used in Removable Dentures","authors":"Marta Costa, S. Neves, Joana Carvalho, S. Arantes-Oliveira, S. Félix","doi":"10.3390/msf2021005045","DOIUrl":"https://doi.org/10.3390/msf2021005045","url":null,"abstract":"Polymethylmethacrylate is the material of choice for prosthetic bases. Depending on the type of polymerization, acrylic resins may present some mechanical weaknesses that may lead to the failure of a prosthesis. The microhardness and flexural strength of a dental material determine its applicability. The objective of the present investigation was to evaluate the in vitro Knoop microhardness and flexural strength of a thermopolymerizable (Probase Hot) and an autopolymerizable (Probase Cold) resin, according to ISO 20759-1: 2013.","PeriodicalId":147460,"journal":{"name":"Medical Sciences Forum","volume":"46 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115554701","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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