单击此处阅读完整的文章。 摘要标题:
摘要标题:
coron and corron and corron and furnav and corron and furnav and furnav and furnav and furnav and furnav and furnav and furnav and furnav and furnav and furnav and furnav and furnav and furnav and( (COVID-19):一种硅方法。
摘要来源:
futur j pharm sci。 2020; 6(1):104。 Epub 2020 Oct 16. PMID: 33215042
Abstract Author(s):Kalirajan Rajagopal, Potlapati Varakumar,Aparma Baliwada,Gowramma Byran
文章隶属关系:kalirajan rajagopal
摘要摘要:
背景:背景: 在2020年初,许多科学家发现了针对新颖的药物,并急切地发现了cor rone face and corron fixav and vacron,vicron facron facron confacirul Covid-19,因为2019年冠状病毒病(Covid-19)是一种威胁生命的病毒疾病,在中国首先受到影响,并迅速遍及全球。在本文中,在计算机中已经进行了研究,以探索(姜黄)Andagainst covid-19(PDB ID 5R82),使用Schrodinger Suit 2019-4靶向冠状病毒,以探索(姜黄)Andagainst covid-19(PDB ID 5R82)的结合模式。 The molecular docking studies are performed by the Glide module, in silico ADMET screening was performed by the QikProp module, and binding energy of ligands was calculated using the Prime MM-GB/SA module.
Results: The chemical constituents from turmeric like cyclocurcumin and与当前使用的药物羟基氯喹(-5.47)相比,姜黄素和从类似雄激素和二羟基二甲氧基二甲氧基二甲氧基黄酮与SARS COV-2主蛋白酶的活性位点显着结合-6,并且(-5.47)和Nelfinavir(-5.93)。与Remdesivir相比(-6.38)时,来自姜黄的环毒素明显更为活跃。该化合物的对接结果表现出与SARS COV-2的相互作用模式。 Mainprotease和残留物TH24,THR25,THR26,LEU27,SER46,MET49,HIE41,GLN189,ARG188,ASP187,MET165,HIE164,PHE181,PHE181和THR54在与Ligands结合中起着至关重要的作用。 class =“ sub_abstract_label”>结论: 基于硅硅研究,来自姜黄等姜黄素和姜黄素和姜黄素等姜黄的化学成分以及从雄激素和二氢糖醇和二羟基二甲氧基二甲氧基黄酮,与SARS Cov-2的活跃部位相结合,并与SARS Cov-2的活跃部位相结合。开发。