Work

Computational discovery of dual potential inhibitors of SARS‐CoV‐2 spike/ACE2 and Mpro: 3D-pharmacophore, docking-based virtual screening, quantum mechanics and molecular dynamics

Year: 2024

Type: article

Source: European Biophysics Journal

DOI: 10.1007/s00249-024-01713-z

Authors: Boris D. Bekono, Pascal Amoa Onguéné, Conrad V. Simoben, Luc C. O. Owono, Fidele Ntie-Kang

Institutions: Université de Yaoundé I, University of Buea, University of Toronto, Structural Genomics Consortium, University of Douala, Martin Luther University Halle-Wittenberg

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: closed

Funders: Bill and Melinda Gates Foundation, LifeArc

Awards: G2418223159, University of Buea - to access African chemical diversity to deliver new drug candidates to treat diseases of poverty, University of Buea - to support the development of extraordinary scientists and emerging leaders from low and middle income countries in order to ensure transformative ...

OpenAlex ID: W4399883266

FWCI: 1.371

Cites: 67

Cited by: 7

Related to: 10