[HTML][HTML] Identifying potential drug targets and candidate drugs for COVID-19: biological networks and structural modeling approaches

G Selvaraj, S Kaliamurthi, GH Peslherbe… - F1000Research, 2021 - ncbi.nlm.nih.gov
Background: Coronavirus (CoV) is an emerging human pathogen causing severe acute
respiratory syndrome (SARS) around the world. Earlier identification of biomarkers for SARS …

Identification of structural scaffold from interbioscreen (IBS) database to inhibit 3CLpro, PLpro, and RdRp of SARS-CoV-2 using molecular docking and dynamic …

VR Patil, AM Dhote, R Patil, ND Amnerkar… - Journal of …, 2023 - Taylor & Francis
A novel coronavirus SARS-CoV-2 has caused a worldwide pandemic and remained a
severe threat to the entire human population. Researchers worldwide are struggling to find …

Bioinformatics and systems biology analysis revealed PMID26394986-Compound-10 as potential repurposable drug against covid-19

H Nisar, B Wajid, F Anwar, A Ahmad… - Journal of …, 2023 - Taylor & Francis
The global health pandemic known as COVID-19, which stems from the severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), has become a significant concern …

[HTML][HTML] Network analysis and molecular mapping for SARS-CoV-2 to reveal drug targets and repurposing of clinically developed drugs

SA More, AS Patil, NS Sakle, SN Mokale - Virology, 2021 - Elsevier
Abstract Novel coronavirus (SARS–CoV–2), turned out to be a global pandemic with
unstoppable morbidity and mortality rate. However, till date there is no effective treatment …

Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis

N Razzaghi-Asl, A Ebadi, S Shahabipour… - Journal of …, 2021 - Taylor & Francis
Considering lack of validated therapeutic drugs or vaccines against contagious SARS-
CoV2, various efforts have been focused on repurposing of existing drugs or identifying new …

Pathway enrichment analysis of virus-host interactome and prioritization of novel compounds targeting the spike glycoprotein receptor binding domain–human …

P Gollapalli, S B. S, H Rimac, P Patil… - Journal of …, 2022 - Taylor & Francis
SARS-CoV-2 has become a pandemic causing a serious global health concern. The
absence of effective drugs for treatment of the disease has caused its rapid spread on a …

Network pharmacology reveals multitarget mechanism of action of drugs to be repurposed for COVID-19

M Alegría-Arcos, T Barbosa, F Sepúlveda… - Frontiers in …, 2022 - frontiersin.org
The coronavirus disease 2019 pandemic accelerated drug/vaccine development processes,
integrating scientists all over the globe to create therapeutic alternatives against this virus. In …

In silico discovery of multi-targeting inhibitors for the COVID-19 treatment by molecular docking, molecular dynamics simulation studies, and ADMET predictions

AH Hasan, NH Hussen, S Shakya, J Jamalis… - Structural Chemistry, 2022 - Springer
Abstract Coronavirus disease-2019 (COVID-19), a global pandemic, has currently infected
more than 247 million people around the world. Nowadays, several receptors of COVID-19 …

COVID-19: a novel holistic systems biology approach to predict its molecular mechanisms (in vitro) and repurpose drugs

M Sameni, SA Mirmotalebisohi, S Dadashkhan… - DARU Journal of …, 2023 - Springer
Purpose COVID-19 strangely kills some youth with no history of physical weakness, and in
addition to the lungs, it may even directly harm other organs. Its complex mechanism has led …

Strategic analyses to identify key structural features of antiviral/antimalarial compounds for their binding interactions with 3CLpro, PLpro and RdRp of SARS-CoV-2: in …

AM Dhote, VR Patil, DK Lokwani… - Journal of …, 2022 - Taylor & Francis
Severe acute respiratory syndrome coronavirus (SARS-CoV-2), a novel member of the
betacoronavirus family is a single-stranded RNA virus that has spread worldwide prompting …