Computational Screening Using a Combination of Ligand-Based Machine Learning and Molecular Docking Methods for the Repurposing of Antivirals Targeting the SARS-CoV-2 Main Protease.

Yuda, Gusti Putu Wahyunanda Crista; Hanif, Naufa; Hermawan, Adam

Yuda, Gusti Putu Wahyunanda Crista; Hanif, Naufa; Hermawan, Adam.

Afiliación

Yuda GPWC; Laboratory of Macromolecular Engineering, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Gadjah Mada Sekip Utara II, 55281, Yogyakarta, Indonesia.
Hanif N; Master Student of Pharmaceutical Sciences, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Hacettepe University, Ankara, 06100, Turkey.
Hermawan A; Laboratory of Macromolecular Engineering, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Gadjah Mada Sekip Utara II, 55281, Yogyakarta, Indonesia. adam_apt@ugm.ac.id.

Daru ; 2023 Oct 31.

Article en En | MEDLINE | ID: mdl-37907683

Palabras clave

COVID-19; Drug repurposing; Ligand-based virtual screening; Molecular docking; Mpro

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Daru Año: 2023 Tipo del documento: Article País de afiliación: Indonesia Pais de publicación: Suiza

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google