Application of an integrated cheminformatics-molecular docking approach for discovery for physicochemically similar analogs of fluoroquinolones as putative HCV inhibitors.

Anwar, Muhammad Faraz; Khalid, Ramsha; Hasanain, Alina; Naeem, Sadaf; Zarina, Shamshad; Abidi, Syed Hani; Ali, Syed

Anwar, Muhammad Faraz; Khalid, Ramsha; Hasanain, Alina; Naeem, Sadaf; Zarina, Shamshad; Abidi, Syed Hani; Ali, Syed.

Afiliación

Anwar MF; Department of Biological and Biomedical Sciences, Aga Khan University, Karachi, Pakistan.
Khalid R; Department of Biochemistry, University of Karachi, Karachi, Pakistan.
Hasanain A; Medical College, Aga Khan University, Karachi, Pakistan.
Naeem S; Department of Biochemistry, University of Karachi, Karachi, Pakistan.
Zarina S; National Center of Proteomics, University of Karachi, Karachi, Pakistan.
Abidi SH; Department of Biological and Biomedical Sciences, Aga Khan University, Karachi, Pakistan. Electronic address: m.haniabidi@gmail.com.
Ali S; Department of Biological Sciences, Nazarbayev University School of Medicine, Nazarbayev University, Astana, Kazakhstan. Electronic address: syed.ali@nu.edu.kz.

Comput Biol Chem ; 84: 107167, 2020 Feb.

Article en En | MEDLINE | ID: mdl-31855781

Asunto(s)

Antivirales/metabolismo; Descubrimiento de Drogas/métodos; Inhibidores Enzimáticos/metabolismo; Fluoroquinolonas/metabolismo; Proteínas no Estructurales Virales/antagonistas & inhibidores; Antivirales/química; Dominio Catalítico; Quimioinformática; Inhibidores Enzimáticos/química; Fluoroquinolonas/química; Hepacivirus/enzimología; Simulación del Acoplamiento Molecular; Unión Proteica; Proteínas no Estructurales Virales/química; Proteínas no Estructurales Virales/metabolismo

Palabras clave

Antiviral agents; Cheminformatics; Drug discovery; Molecular docking

Texto completo

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Antivirales / Proteínas no Estructurales Virales / Fluoroquinolonas / Inhibidores Enzimáticos / Descubrimiento de Drogas Tipo de estudio: Prognostic_studies Idioma: En Revista: Comput Biol Chem Asunto de la revista: BIOLOGIA / INFORMATICA MEDICA / QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Pakistán

Texto completo

Imprimir

XML

PubMed Links

Buscar en Google