QSAR-based virtual screening of traditional Chinese medicine for the identification of mitotic kinesin Eg5 inhibitors.

Bodun, Damilola S; Omoboyowa, Damilola A; Omotuyi, Olaposi I; Olugbogi, Ezekiel A; Balogun, Toheeb A; Ezeh, Chiamaka J; Omirin, Emmanuel S

Bodun, Damilola S; Omoboyowa, Damilola A; Omotuyi, Olaposi I; Olugbogi, Ezekiel A; Balogun, Toheeb A; Ezeh, Chiamaka J; Omirin, Emmanuel S.

Afiliación

Bodun DS; Department of Biochemistry, Adekunle Ajasin University, Akungba-Akoko, Ondo State, Nigeria. Electronic address: dbodun56@gmail.com.
Omoboyowa DA; Department of Biochemistry, Adekunle Ajasin University, Akungba-Akoko, Ondo State, Nigeria.
Omotuyi OI; Department of Pharmacology and Toxicology, College of Pharmacy, Afe Babalola University, Ado Ekiti, Nigeria.
Olugbogi EA; Department of Biochemistry, Adekunle Ajasin University, Akungba-Akoko, Ondo State, Nigeria.
Balogun TA; Department of Biological Sciences, University of California, San Diego, San Diego, CA, United States.
Ezeh CJ; Department of Biochemistry, Micheal Okpara University of Agriculture, Umudike, Abia State, Nigeria.
Omirin ES; Department of Biochemistry, Adekunle Ajasin University, Akungba-Akoko, Ondo State, Nigeria.

Comput Biol Chem ; 104: 107865, 2023 Jun.

Article en En | MEDLINE | ID: mdl-37062146

Asunto(s)

Cinesinas; Neoplasias; Humanos; Unión Proteica; Relación Estructura-Actividad Cuantitativa; Medicina Tradicional China

Palabras clave

DFT; Human Eg5; In-silico; QPLD; TCM

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Cinesinas / Neoplasias Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Límite: Humans Idioma: En Revista: Comput Biol Chem Asunto de la revista: BIOLOGIA / INFORMATICA MEDICA / QUIMICA Año: 2023 Tipo del documento: Article Pais de publicación: Reino Unido

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