[HTML][HTML] An overview of potential inhibitors targeting non-structural proteins 3 (PLpro and Mac1) and 5 (3CLpro/Mpro) of SARS-CoV-2
F Yan, F Gao - Computational and structural biotechnology journal, 2021 - Elsevier
There is an urgent need to develop effective treatments for coronavirus disease 2019
(COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS …
(COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS …
[HTML][HTML] An update on the current state of SARS-CoV-2 Mac1 inhibitors
JJ O'Connor, D Ferraris, AR Fehr - Pathogens, 2023 - mdpi.com
Non-structural protein 3 (nsp3) from all coronaviruses (CoVs) contains a conserved
macrodomain, known as Mac1, that has been proposed as a potential therapeutic target for …
macrodomain, known as Mac1, that has been proposed as a potential therapeutic target for …
[HTML][HTML] Identification of natural inhibitors against SARS-CoV-2 drugable targets using molecular docking, molecular dynamics simulation, and MM-PBSA approach
PP Kushwaha, AK Singh, T Bansal, A Yadav… - Frontiers in cellular …, 2021 - frontiersin.org
The present study explores the SARS-CoV-2 drugable target inhibition efficacy of
phytochemicals from Indian medicinal plants using molecular docking, molecular dynamics …
phytochemicals from Indian medicinal plants using molecular docking, molecular dynamics …
Phytochemicals present in Indian ginseng possess potential to inhibit SARS-CoV-2 virulence: A molecular docking and MD simulation study
Coronaviruses are deadly and contagious pathogens that affects people in different ways.
Researchers have increased their efforts in the development of antiviral agents against …
Researchers have increased their efforts in the development of antiviral agents against …
[HTML][HTML] The conserved macrodomain is a potential therapeutic target for coronaviruses and alphaviruses
Background: Open Access Perspective The Conserved Macrodomain Is a Potential
Therapeutic Target for Coronaviruses and Alphaviruses by Anthony KL Leung 1, 2, 3, 4 …
Therapeutic Target for Coronaviruses and Alphaviruses by Anthony KL Leung 1, 2, 3, 4 …
Exploiting the potential of natural polyphenols as antivirals against monkeypox envelope protein F13 using machine learning and all-atoms MD simulations
The re-emergence of monkeypox (MPX), in the era of COVID-19 pandemic is a new global
menace. Regardless of its leniency, there are chances of MPX expediting severe health …
menace. Regardless of its leniency, there are chances of MPX expediting severe health …
In Silico Identification of New Anti‐SARS‐CoV‐2 Main Protease (Mpro) Molecules with Pharmacokinetic Properties from Natural Sources Using Molecular Dynamics …
H Onyango, P Odhiambo, D Angwenyi… - Journal of Tropical …, 2022 - Wiley Online Library
Infectious agents such as SARS‐CoV, MERS‐CoV, and SARS‐CoV‐2 have emerged in
recent years causing epidemics with high mortality rates. The quick development of novel …
recent years causing epidemics with high mortality rates. The quick development of novel …
Identification of the effective α-amylase inhibitors from Dalbergia odorifera: Virtual screening, spectroscopy, molecular docking, and molecular dynamic simulation
J Zhang, W Ding, Z Tang, Y Kong, J Liu… - Spectrochimica Acta Part A …, 2022 - Elsevier
Inhibiting the activity of α-amylase has been considered as one efficient way to prevent and
treat type 2 diabetes recently. Dalbergia odorifera, a kind of Leguminosae plant, has a …
treat type 2 diabetes recently. Dalbergia odorifera, a kind of Leguminosae plant, has a …
[HTML][HTML] Drug resistance mechanism of M46I-mutation-induced saquinavir resistance in HIV-1 protease using molecular dynamics simulation and binding energy …
N Rana, AK Singh, M Shuaib, S Gupta, MM Habiballah… - Viruses, 2022 - mdpi.com
Drug-resistance-associated mutation in essential proteins of the viral life cycle is a major
concern in anti-retroviral therapy. M46I, a non-active site mutation in HIV-1 protease has …
concern in anti-retroviral therapy. M46I, a non-active site mutation in HIV-1 protease has …
Structural exploration of interactions of (+) catechin and (−) epicatechin with bovine serum albumin: Insights from molecular dynamics and spectroscopic methods
The interaction of two stereoisomeric flavanols (+) catechin (CT) and (−) epicatechin (ECT)
with bovine serum albumin (BSA) has been studied using UV–Vis absorption and …
with bovine serum albumin (BSA) has been studied using UV–Vis absorption and …