Identification of Potential Cytochrome P450 3A5 Inhibitors: An Extensive Virtual Screening through Molecular Docking, Negative Image-Based Screening, Machine Learning and Molecular Dynamics Simulation Studies

Cytochrome P450 3A5 (CYP3A5) is one of the crucial CYP family members and has already proven to be an important drug target for cardiovascular diseases. In the current study, the PubChem database was screened through molecular docking and high-affinity molecules were adopted for further assessment....

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Detalles Bibliográficos
Autores principales: Islam, Md Ataul, Dudekula, Dawood Babu, Rallabandi, V. P. Subramanyam, Srinivasan, Sridhar, Natarajan, Sathishkumar, Chung, Hoyong, Park, Junhyung
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9409045/
https://www.ncbi.nlm.nih.gov/pubmed/36012627
http://dx.doi.org/10.3390/ijms23169374

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