Multifunctional Inhibitors of SARS CoV2 by MM/PBSA, Essential dynamics, and Molecular dynamic investigations.

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

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 کامل

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 کامل

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 کامل

SARS‐CoV2 Neuroinvasion Potential; Narrative Review

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 ...

متن کامل

Intrauterine Vertical Transmission of SARS COV2 Infection in Iranian Neonates

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...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Journal of Molecular Graphics and Modelling

سال: 2021

ISSN: 1093-3263

DOI: 10.1016/j.jmgm.2021.107969