Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
Potential of turmeric-derived compounds against RNA‐dependent RNA polymerase of SARS‐CoV‐2: an in-silico approach
R Singh, VK Bhardwaj, R Purohit - Computers in Biology and Medicine, 2021 - Elsevier
Abstract The Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is the
causative agent of the COVID-19 pandemic. Currently, there are no particular antivirals …
causative agent of the COVID-19 pandemic. Currently, there are no particular antivirals …
How helpful were molecular dynamics simulations in shaping our understanding of SARS-CoV-2 spike protein dynamics?
The SARS-CoV-2 spike protein (S) represents an important viral component that is required
for successful viral infection in humans owing to its essential role in recognition of and entry …
for successful viral infection in humans owing to its essential role in recognition of and entry …
Inhibition of nonstructural protein 15 of SARS‐CoV‐2 by golden spice: A computational insight
R Singh, VK Bhardwaj, R Purohit - Cell biochemistry and …, 2022 - Wiley Online Library
The quick widespread of the coronavirus and speedy upsurge in the tally of cases demand
the fast development of effective drugs. The uridine‐directed endoribonuclease activity of …
the fast development of effective drugs. The uridine‐directed endoribonuclease activity of …
Honeysuckle (Lonicera japonica) and Huangqi (Astragalus membranaceus) Suppress SARS-CoV-2 Entry and COVID-19 Related Cytokine Storm in Vitro
YC Yeh, LH Doan, ZY Huang, LW Chu… - Frontiers in …, 2022 - frontiersin.org
COVID-19 is threatening human health worldwide but no effective treatment currently exists
for this disease. Current therapeutic strategies focus on the inhibition of viral replication or …
for this disease. Current therapeutic strategies focus on the inhibition of viral replication or …
Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches
The outbreak of novel Coronavirus, an enduring pandemic declared by WHO, has
consequences to an alarming ongoing public health menace which has already claimed …
consequences to an alarming ongoing public health menace which has already claimed …
In silico analysis of SARS-CoV-2 proteins as targets for clinically available drugs
The ongoing pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2) requires treatments with rapid clinical translatability. Here we develop a multi-target …
CoV-2) requires treatments with rapid clinical translatability. Here we develop a multi-target …
A ricin-based peptide BRIP from Hordeum vulgare inhibits Mpro of SARS-CoV-2
P Kashyap, VK Bhardwaj, M Chauhan, V Chauhan… - Scientific Reports, 2022 - nature.com
COVID-19 pandemic caused by SARS-CoV-2 led to the research aiming to find the inhibitors
of this virus. Towards this world problem, an attempt was made to identify SARS-CoV-2 main …
of this virus. Towards this world problem, an attempt was made to identify SARS-CoV-2 main …
GC-MS profiling of Bauhinia variegata major phytoconstituents with computational identification of potential lead inhibitors of SARS-CoV-2 Mpro
Severe acute respiratory syndrome coronavirus 2 was originally identified in Wuhan city of
China in December 2019 and it spread rapidly throughout the globe, causing a threat to …
China in December 2019 and it spread rapidly throughout the globe, causing a threat to …
Comparative mutational analysis of SARS-CoV-2 isolates from Pakistan and structural-functional implications using computational modelling and simulation …
Abstract SARS-CoV-2, an RNA virus, has been prone to high mutations since its first
emergence in Wuhan, China, and throughout its spread. Its genome has been sequenced …
emergence in Wuhan, China, and throughout its spread. Its genome has been sequenced …