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- 검색키워드
- 저자 : Nikita Kanbarkar (검색결과 2 건)
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Nikita Kanbarkar,Sanjay Mishra,Pukar Khanal 경희대학교 융합한의과학연구소 2020 Oriental Pharmacy and Experimental Medicine Vol.20 No.4
Acacia suma Roxb. (Fabaceae) is Ayurvedic medicine distributed in Karnataka, Bengal and Bihar region. Phytoconstituents of A. suma were retrieved from ChEIB databases and queried for phospholipase A2 group IIA inhibitors. The present study is an effort to find out a novel therapeutic solution for the management of obesity disorders. Out of 29 reported compounds three were identified in modulating phospholipase A2 group IIA inhibitor their drug likeness score andprobable gene expression was identified. Docking study was performed using autodock4.0 to predict binding affinity of phytoconstituents with phospholipase A2 group IIA inhibitor and compared with clinically proven drug ‘Orlistat’ as lipase inhibitor. The respected pathway to show networking between phytochemicals and target were analyse by kyoto encyclopedia of genes and genomes pathway analysis for regulated genes. Further, in silico findings were validated for hydroalcoholic extract of A. suma by in vitro lipase inhibition assay. Molecular docking result revealed the presence of three flavonoid compounds for lipase inhibition activity namely: (1) (5S,7R,8R,9R,10S)-(−)-7,8–seco-7,8–oxacassa-13,15-diene-7,17-diol (2) Fisetinidol-(4α,6)-gallocatechin and (3) Quercetin4′-O-α-l-rhamnopyranosyl-3-O-β-d-allopyranoside. However, Quercetin4′-O-α-l-rhamnopyranosyl-3-O-β- d-allopyranoside was predicted to possess the highest docking score i.e. − 7.6 kcal/mol with phospholipase A2 group IIA. The in vitro findings revealed significant anti-lipase activity with IC50 value − 46.07 μg/ml. Hence, the in silico and in vitro approaches has presented strong binding affinity and significant lipase inhibition activity respectively which supports antiobesity potential of heart wood hydroalcoholic extract of A. suma.
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Kanbarkar Nikita,Mishra Sanjay 경희대학교 융합한의과학연구소 2021 Oriental Pharmacy and Experimental Medicine Vol.21 No.1
To respond to the public panic, government and private research organizations of every country keep working on the COVID-19 pandemic, even though still there is a lack of more efcacious medicine for the choice of Coronavirus disease treatment. To counteract on this situation several approved drugs including anti-malarial (hydroxychloroquine and chloroquine), and few anti-viral (remdesvir) agents are choice of treatment for COVID-19. However, these agents sufer from certain limitation in their uses and pointed that there is no specifc treatment or vaccine available to counter this contagious disease. Hence, there is urgent requirement to fnd a specifc cure for the disease. In this view, there are several ongoing clinical trials of both western and traditional medicines. In present study, phytochemicals from Camellia sinensis were retrieved from the database and identifed based on their ability to inhibit matrix metalloproteinase (MMPs) against SARSCoV-2 main protease. Camellia sinensis entails of a massive number of phytochemicals with a good source of polyphenols such as Catechin, Epicatechin, Epigallocatechin and (–)-Epigallocatechin gallate. Molecular docking was performed using the GLIDE docking module of Schrodinger Suite software. The analysis displayed docking score for the fve polyphenols i.e. theafavin (−8.701), 1-O-cafeoylquinic acid (−7.795), Genistein (−7.168), Epigallocatechin 3-gallate (−6.282) and Ethyl trans-cafeate (−5.356). Interestingly, theafavin and Epigallocatechin 3-gallate have not revealed any side efects. These polyphenolic compounds had a strong binding afnity with hydrogen bonds and a good drug-likeness score. Therefore, Camellia sinensis could be the benefcial option in the prophylaxis of the COVID-19 outbreak.
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