In Silico Exploration of Potential Natural Inhibitors against SARS-Cov-2 nsp10

IH Eissa, MM Khalifa, EB Elkaeed, EE Hafez… - Molecules, 2021 - mdpi.com
In continuation of our previous effort, different in silico selection methods were applied to
310 naturally isolated metabolites that exhibited antiviral potentialities before. The applied …

In Silico Exploration of the Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2's Main Protease

T Huynh, H Wang, B Luan - The Journal of Physical Chemistry …, 2020 - ACS Publications
… for the SARS-CoV-2 virus. Irreversible inhibitors like N3 are efficacious and have been proven
to inhibit SARS-CoV-2 … Given the urgency, we used in silico methods to explore a set of 19 …

In silico Exploration of Inhibitors for SARS-CoV-2's Papain-Like Protease

T Huynh, W Cornell, B Luan - Frontiers in chemistry, 2021 - frontiersin.org
coronavirus 2 (SARS-CoV-2), with very limited treatments so far. Demonstrated with good
druggability, two major proteases of SARS-CoV-2, … Here, we carried out the in silico high-…

In Silico Exploration of Phytoconstituents From Phyllanthus emblica and Aegle marmelos as Potential Therapeutics Against SARS-CoV-2 RdRp

K Pandey, KB Lokhande, KV Swamy… - … and Biology Insights, 2021 - journals.sagepub.com
… inhibitory action against SARS-CoV-2 RdRp. In the present study, in silico approach was …
from Aegle marmelos and Phyllanthus emblica against SARS-CoV-2 RdRp. The potential of …

[HTML][HTML] In silico exploration of binding potentials of anti SARS-CoV-1 phytochemicals against main protease of SARS-CoV-2

AG Al-Sehemi, M Pannipara, RS Parulekar… - Journal of Saudi …, 2022 - Elsevier
… Herein we describe the in silico molecular docking results that intended quickly discovery …
silico study focused on identifying drug leads that target main protease (M pro ) of SARS-CoV-2…

Exploring the SARS-CoV-2 structural proteins for multi-epitope vaccine development: an in-silico approach

A Kumar, P Kumar, KU Saumya… - Expert review of …, 2020 - Taylor & Francis
… st century, two outbreaks of SARS-CoV and MERS-CoV have led the researchers into
designing vaccines against SARS coronaviruses. The third outbreak, wherein SARS-CoV-2 infects …

Exploration of In-silico screening of therapeutic agents against SARS-CoV-2

Y Thakur, R Pande - Chemical Physics, 2021 - Elsevier
In the present investigation, molecular docking studies have been performed using AutoDock
Vina to investigate the role of ligand-binding affinity at the hydrophobic pocket of COVID-19…

Diphenyl Diselenide and SARS-CoV-2: in silico Exploration of the Mechanisms of Inhibition of Main Protease (Mpro) and Papain-like Protease (PLpro)

FB Omage, A Madabeni, AR Tucci… - Journal of Chemical …, 2023 - ACS Publications
… vitro (PhSe) 2 effect against SARS-CoV-2 replication, we sought … silico approach. For this
purpose, we thoroughly analyze in silico the structural and chemical mechanism of SARS-CoV-…

In silico bioprospecting of taraxerol as a main protease inhibitor of SARS-CoV-2 to develop therapy against COVID-19

S Mujwar, RK Harwansh - Structural Chemistry, 2022 - Springer
… COVID-19 was caused by a novel coronavirus known as SARS-CoV-2. The COVID-19 …
several herbal leads was performed to explore their potential against SARS-CoV-2. Furthermore, …

Exploring the new potential antiviral constituents of Moringa oliefera for SARS-COV-2 pathogenesis: An in silico molecular docking and dynamic studies

S Muhammad, SH Hassan, AG Al-Sehemi… - Chemical physics …, 2021 - Elsevier
… therapeutic target in combating SARS-CoV-2 pathogenesis. … Other approaches including in
silico ADMET analysis, prediction … The current study is based on in silico analysis which was …