Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

[HTML][HTML] Coronaviruses SARS-CoV, MERS-CoV, and SARS-CoV-2 helicase inhibitors: A systematic review of in vitro studies

N Mehyar - Journal of Virus Eradication, 2023 - Elsevier
Introduction The recent outbreak of SARS-CoV-2 has significantly increased the need to find
inhibitors that target the essential enzymes for viral replication in host cells. This systematic …

Looking for SARS-coV-2 therapeutics through computational approaches

M Vincenzi, FA Mercurio… - Current Medicinal …, 2023 - ingentaconnect.com
Background: In the last few years, in silico tools, including drug repurposing coupled with
structure-based virtual screening, have been extensively employed to look for anti-COVID …

Identification of potent Zika virus NS5 RNA-dependent RNA polymerase inhibitors combining virtual screening and biological assays

Y Chen, X Chi, H Zhang, Y Zhang, L Qiao… - International Journal of …, 2023 - mdpi.com
The Zika virus (ZIKV) epidemic poses a significant threat to human health globally. Thus,
there is an urgent need for developing effective anti-ZIKV agents. ZIKV non-structural protein …

[HTML][HTML] Identification of potential Indonesian marine invertebrate bioactive compounds as TMPRSS2 and SARS-CoV-2 Omicron spike protein inhibitors through …

HR Nurcahyaningtyas, A Irene, JT Wibowo… - Arabian Journal of …, 2023 - Elsevier
The coronavirus pandemic led to the announcement of a worldwide health emergency. The
SARS-CoV-2 Omicron variant, which swiftly spread worldwide, has fueled existing …

Molecular Docking and ADME-TOX Profiling of Moringa oleifera Constituents against SARS-CoV-2

HCA Souza, MDA Souza, CS Sousa… - … in Respiratory Medicine, 2023 - mdpi.com
Highlights What are the main findings? Bioactive compounds of Moringa oleifera exhibited
activity against SARS-CoV-2. Computational approaches to studying the antiviral activity of …

Development of spiro-3-indolin-2-one containing compounds of antiproliferative and anti-SARS-CoV-2 properties

NG Fawazy, SS Panda, A Mostafa, BM Kariuki… - Scientific reports, 2022 - nature.com
Abstract A series of 1 ″-(alkylsulfonyl)-dispiro [indoline-3, 2′-pyrrolidine-3′, 3 ″-
piperidine]-2, 4 ″-diones 6a‒o has been synthesized through regioselective multi …

Structure based drug designing approaches in SARS-CoV-2 spike inhibitor design

A Shanmugam, A Venkattappan… - Current Topics in …, 2022 - ingentaconnect.com
The COVID-19 outbreak and the pandemic situation have hastened the research community
to design a novel drug and vaccine against its causative organism, the SARS-CoV-2. The …

Natural compounds from medicinal plants against COVID-19

A Kolodnitsky, N Ionov, I Gravel… - Exploration of Drug …, 2023 - explorationpub.com
The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), known to cause the
coronavirus disease 2019 (COVID-19), was declared a pandemic in early 2020. During the …

Bioinformatics in Development of Antivirals

S Borkotoky, D Dey - Biotechnological Interventions Augmenting Livestock …, 2023 - Springer
Virus infections and epidemics are becoming more common over the world, with new and
old viruses resurfacing with fresh intensity. As a result of long development phases, allergic …