In silico identification of potential allosteric inhibitors of the SARS-CoV-2 Helicase

A Rowaiye, O Onuh, T Asala, A Ogu, D Bur… - 2020 - chemrxiv.org
The COVID-19 pandemic ravages the globe causing unprecedented health and economic
challenges. As the world prospects for a cure, scientists are looking critically at strategic …

[HTML][HTML] Structure-based virtual screening identifies multiple stable binding sites at the RecA domains of SARS-CoV-2 helicase enzyme

S Ahmad, Y Waheed, S Ismail, S Bhatti, SW Abbasi… - Molecules, 2021 - mdpi.com
With the emergence and global spread of the COVID-19 pandemic, the scientific community
worldwide has focused on search for new therapeutic strategies against this disease. One …

Computer-Assisted Drug Discovery of Potential African Anti-SARS-CoV-2 Natural Products Targeting the Helicase Protein

AM Metwaly, MS Alesawy, BA Alsfouk… - Natural Product …, 2024 - journals.sagepub.com
Objectives: In our continuous efforts to combat COVID-19, our objective was to conduct a
comprehensive computer-aided drug design study utilizing 4924 African natural metabolites …

In silico screening of SARS-CoV2 helicase using African natural products: Docking and molecular dynamics approaches

HR Knany, SA Elsabbagh, MA Shehata, WM Eldehna… - Virology, 2023 - Elsevier
In the current medical era, there is an urgent necessity to identify new effective drugs to
enrich the COVID-19's therapeutic arsenal. The SARS-COV-2 NSP13/helicase enzyme has …

A structural-based virtual screening and in vitro validation reveals novel effective inhibitors for SARS-CoV-2 helicase and endoribonuclease

IM Ibrahim, AA Elfiky, SH Mahmoud… - Journal of Biomolecular …, 2023 - Taylor & Francis
Researchers worldwide are looking for molecules that might disrupt the COVID-19 life cycle.
Endoribonuclease, which is responsible for processing viral RNA to avoid detection by the …

[HTML][HTML] Potential phytochemical inhibitors of SARS-CoV-2 helicase Nsp13: A molecular docking and dynamic simulation study

RP Vivek-Ananth, S Krishnaswamy, A Samal - Molecular diversity, 2022 - Springer
Abstract The SARS-CoV-2 helicase Nsp13 is a promising target for developing anti-COVID
drugs. In the present study, we have identified potential natural product inhibitors of SARS …

The SARS-CoV-2 helicase as a target for antiviral therapy: Identification of potential small molecule inhibitors by in silico modelling

E Pitsillou, J Liang, A Hung, TC Karagiannis - Journal of Molecular …, 2022 - Elsevier
Although vaccines that provide protection against severe illness from coronavirus disease
(COVID-19) have been made available, emerging variant strains of severe acute respiratory …

Discovery of Zafirlukast as a novel SARS-CoV-2 helicase inhibitor using in silico modelling and a FRET-based assay

N Mehyar, A Mashhour, I Islam… - SAR and QSAR in …, 2021 - Taylor & Francis
The coronavirus helicase is an essential enzyme required for viral replication/transcription
pathways. Structural studies revealed a sulphate moiety that interacts with key residues …

Computer-aided drug discovery of natural antiviral metabolites as potential SARS-CoV-2 helicase inhibitors

EB Elkaeed, IH Eissa, AM Saleh… - Journal of Chemical …, 2024 - journals.sagepub.com
In our quest to discover effective inhibitors against severe acute respiratory syndrome
coronavirus 2 helicase, a diverse set of more than 300 naturally occurring antiviral …

Structure‐Based virtual screening, docking, ADMET, molecular dynamics, and MM‐PBSA calculations for the discovery of potential natural SARS‐CoV‐2 helicase …

AM Metwaly, A Elwan, AAMM El-Attar… - Journal of …, 2022 - Wiley Online Library
Continuing our antecedent work against COVID‐19, a set of 5956 compounds of traditional
Chinese medicine have been virtually screened for their potential against SARS‐CoV‐2 …