Multifunctional Inhibitors of SARS CoV2 by MM/PBSA, Essential dynamics, and Molecular dynamic investigations.
نویسندگان
چکیده
منابع مشابه
Molecular Dynamics and Docking Investigations of Several Zoanthamine-Type Marine Alkaloids as Matrix Metaloproteinase-1 Inhibitors
Zoanthamine-type alkaloids display a wide spectrum of biological effects. This study aimed to examine the inhibitory effects of norzoanthamine and its ten homologues of zoanthamine class on human fibroblast collagenase by modeling a three-dimensional structure of the ligands at collagenase using energy minimization, docking, molecular dynamics simulation and MM-PB/GBSA binding free energy calcu...
متن کاملMolecular Dynamics and Docking Investigations of Several Zoanthamine-Type Marine Alkaloids as Matrix Metaloproteinase-1 Inhibitors
Zoanthamine-type alkaloids display a wide spectrum of biological effects. This study aimed to examine the inhibitory effects of norzoanthamine and its ten homologues of zoanthamine class on human fibroblast collagenase by modeling a three-dimensional structure of the ligands at collagenase using energy minimization, docking, molecular dynamics simulation and MM-PB/GBSA binding free energy calcu...
متن کاملmolecular dynamics and docking investigations of several zoanthamine-type marine alkaloids as matrix metaloproteinase-1 inhibitors
zoanthamine-type alkaloids display a wide spectrum of biological effects. this study aimed to examine the inhibitory effects of norzoanthamine and its ten homologues of zoanthamine class on human fibroblast collagenase by modeling a three-dimensional structure of the ligands at collagenase using energy minimization, docking, molecular dynamics simulation and mm-pb/gbsa binding free energy calcu...
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The outbreak of severe acute respiratory syndrome (SARS ‐ CoV-2) in December 2019 has led to the epidemic of Covid-19. Recent clinical studies have shown that parts of the nervous system; Cerebrospinal fluid (CSF) are involved in SARS-CoV-2 infection, which is associated with a variety of neurological manifestations such as headache, dizziness, and olfactory and gustatory disorders. This study ...
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Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-COV-2) is responsible for COVID-19 disease that is transmitted from human to human via respiratory droplets and contact routes. There is no clear accurate evidence about intrauterine transmission of COVID-19 infection among newborns. Case present :The present report aims at provid ing accurate and clear information about a one-day singleton...
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ژورنال
عنوان ژورنال: Journal of Molecular Graphics and Modelling
سال: 2021
ISSN: 1093-3263
DOI: 10.1016/j.jmgm.2021.107969