Work

Structure-based identification of furan-substituted chromone derivatives as putative SARS-CoV-2 main protease binders: integrated ADME/Tox, docking, molecular dynamics, MM/GBSA and PCA analyses

Year: 2026

Type: article

Source: Journal of Molecular Structure

DOI: 10.1016/j.molstruc.2026.147475

Authors: Mohammed Merzouki, Oussama Khibech, Nuha Almulla, Raya Soltane, Ghadah Shukri Albakri, Lamiae Bourassi, Thamir M. Eid, Said Abadi, Maha Awjan Alreshidi, Naved Ahmad, Sajad Ali, Krishna Kumar Yadav

Institutions: Mohamed I University, Umm al-Qura University, Princess Nourah bint Abdulrahman University, King Abdulaziz University, University of Ha'il, Almaarefa University, King Faisal University, Al-Ayen Iraqi University, Saveetha University

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Drug Discovery

Field: Pharmacology, Toxicology and Pharmaceutics

Domain: Life Sciences

SDG: Good health and well-being

Open Access status: closed

Funders: AlMaarefa University, Princess Nourah Bint Abdulrahman University, King Faisal University

Awards: G1768598236, G4783438977, G5735835507

OpenAlex ID: W7204601969

FWCI:

Cites: 37

Cited by:

Related to: 10