Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2

K Al-Khafaji, D Al-Duhaidahawi… - Journal of Biomolecular …, 2021 - Taylor & Francis
… As a result of, a newly issued X-ray crystal of SARS-CoV-2 Main protein (Mpro), we planning
to use computational approaches (Cameron et al., 2013) to contribute to find an effective …

Progress in computational approach to drug development against SARS

KC Chou, DQ Wei, QS Du, S Sirois… - Current Medicinal …, 2006 - ingentaconnect.com
… polyproteins by a special proteinase, the so-called SARS coronavirus main proteinase (SARS
CoV Mpro), is a key step for the replication of the “culprit”. The functional importance of the …

Drug repurposing against SARS-CoV-2 using computational approaches

S Kumar, S Kovalenko, S Bhardwaj, A Sethi… - Drug Discovery …, 2022 - Elsevier
… by the computational approaches. Among the hits identified by computational approaches,
35 … ten drugs are in clinical trials (Phase III and IV) for treating Coronavirus 2019 (COVID-19). …

Knowing and combating the enemy: a brief review on SARS-CoV-2 and computational approaches applied to the discovery of drug candidates

MSM Serafim, JC Gertrudes, DMA Costa… - Bioscience …, 2021 - portlandpress.com
… (CADD) approaches, … SARS-CoV-2. In this work, we describe and review the current
knowledge on this virus and the pandemic, the latest strategies and computational approaches

Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach

SA Khan, K Zia, S Ashraf, R Uddin… - Journal of Biomolecular …, 2021 - Taylor & Francis
… has been approved for clinical testing against novel coronavirus. It has been found to be …
the emerging infection of SARS-CoV-2. In this study, we used an approach for target based-…

A computational approach to identify potential novel inhibitors against the coronavirus SARSCoV‐2

V Battisti, O Wieder, A Garon, T Seidel… - Molecular …, 2020 - Wiley Online Library
… a potential new multi-target SARS-CoV-2-inhibitor. … approaches to identify a possible
SARS-CoV-2-Inhibitor: i) Docking Consensus Approach (DCA) and ii) Common Hits Approach (CHA…

Analysis of SARS-CoV-2 RNA-dependent RNA polymerase as a potential therapeutic drug target using a computational approach

SO Aftab, MZ Ghouri, MU Masood, Z Haider… - Journal of translational …, 2020 - Springer
… Based on the phylogenetic similarity of the RdRp proteins of SARS-CoV and SARS-CoV-2,
the catalytic domain was selected for inhibitor docking of inhibitors against the SARS-CoV-2 …

[HTML][HTML] Unravelling Vitamin B12 as a potential inhibitor against SARS-CoV-2: A computational approach

M Pandya, S Shah, M Dhanalakshmi, T Juneja… - Informatics in medicine …, 2022 - Elsevier
… -2) is the etiological agent of Coronaviruscomputational approach, we intend to identify
the probable inhibitory effect of all vitamins on the drug targets of COVID-19. The computational

A computational approach for rational discovery of inhibitors for non-structural protein 1 of SARS-CoV-2

R Singh, VK Bhardwaj, P Das, R Purohit - Computers in biology and …, 2021 - Elsevier
SARS-CoV-2 necessitates the use of computational tools … computational approach to select
and rank these analogues based on their capacity to effectively bind with Nsp1 of SARS-CoV

Looking for SARS-coV-2 therapeutics through computational approaches

M Vincenzi, FA Mercurio… - Current Medicinal …, 2023 - ingentaconnect.com
… This work, supported by a computational approach, indicates that SARSCoV-2 develops
an efficacious immune escape strategy by letting its proteins take part in diverse immune and …