Hossain, R, Islam, MT, Ray, P, Jain, D, Saikat, ASM, Nahar, L, Talukdar, AD, Sarker, S, Ayatollahi, SA, Martorell, M, Kobarfard, F, Cruz-Martins, N, Al-Khafaji, K, Docea, AO, Calina, D and Sharifi-Rad, J (2021) Amentoflavone, New Hope against SARS-CoV-2: An Outlook through its Scientific Records and an in silico Study. Pharmacognosy Research, 13 (3). pp. 149-157. ISSN 0976-4836

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Abstract

Background: The plant-derived bioflavonoid amentoflavone has many important biological activities, among them remarkable antiviral effects, even against severe acute respiratory syndrome Coronavirus (SARS-CoV). It inhibits severe acute respiratory syndrome coronavirus (SARS-CoV) with an IC50 value of 8.3 μM. TMPRSS-2 activity is now thought to be the only factor necessary for cell entry and viral pathogenesis). In comparison, 3CLPRO is needed for COVID-19 replication and maturation during its life cycle. Aim: This study aims to perform an in silico study on amentoflavone activity against structural and non-structural severe acute respiratory syndrome coronavirus (SARS-CoV)-2 3-chymotrypsin-like protease (3CLPRO) and human transmembrane protease serine 2 (TMPRSS-2) proteins. Materials and Methods: Molecular docking studies were carried out using compounds against 3CLPRO and TMPRSS-2 proteins through the Swiss model, Uniport, PROCHECK, Swiss PDB viewer, PyMol, PyRx, and Desmond (Schrödinger package) computerized software. Results: Amentoflavone showed strong interactions -9.5 and -7.4 kcal/mol with 3CLPRO and TMPRSS2 proteins, respectively. In any case, it had higher binding affinities than currently approved antiviral drugs, which are underutilized in coronavirus disease (COVID-19). Conclusion: Amentoflavone may be one of the potential leads (drug candidate) to fight human coronavirus, including SARS-CoV-2. Further in vivo studies are needed to support the findings of this study.

Item Type:	Article
Uncontrolled Keywords:	Infectious Diseases; Lung; Coronaviruses; Emerging Infectious Diseases; 0607 Plant Biology; 1104 Complementary and Alternative Medicine; 1115 Pharmacology and Pharmaceutical Sciences
Subjects:	R Medicine > R Medicine (General) R Medicine > RV Botanic, Thomsonian, and eclectic medicine
Divisions:	Pharmacy and Biomolecular Sciences
Publisher:	Pharmacognosy Network Worldwide
SWORD Depositor:	A Symplectic
Date Deposited:	16 Jan 2025 10:37
Last Modified:	16 Jan 2025 10:45
DOI or ID number:	10.5530/pres.13.3.7
URI:	https://researchonline.ljmu.ac.uk/id/eprint/25289

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