QSAR, molecular docking, MD simulations, and ADMET screening identify potential Heliotropium indicum leads against key targets in benign prostatic hyperplasia.

Autor: Omirin ES; Eureka Laboratory, Babcock University, Ilishan-Remo, Ogun State Nigeria.; Department of Biochemistry, Adekunle Ajasin University, Akungba Akoko, Ondo State Nigeria., Aribisala PO; Eureka Laboratory, Babcock University, Ilishan-Remo, Ogun State Nigeria.; Department of Microbiology, Obafemi Awolowo University, Ife, Osun State Nigeria., Olugbogi EA; Eureka Laboratory, Babcock University, Ilishan-Remo, Ogun State Nigeria., Adeniran OY; Department of Biochemistry, Adekunle Ajasin University, Akungba Akoko, Ondo State Nigeria., Emaleku SA; Department of Biochemistry, Adekunle Ajasin University, Akungba Akoko, Ondo State Nigeria., Saliu JA; Department of Biochemistry, Adekunle Ajasin University, Akungba Akoko, Ondo State Nigeria., Fapohunda O; Department of Biochemistry, Adekunle Ajasin University, Akungba Akoko, Ondo State Nigeria., Omirin AK; Department of Chemistry, Federal Polytechnic, Ado-Ekiti, Nigeria., Gbadamosi MO; Department of Biochemistry, Federal University of Technology, Akure, Nigeria., Wopara I; Department of Biochemistry, Rivers State University, Port Harcourt, Rivers State Nigeria.

Publikováno v: In silico pharmacology [In Silico Pharmacol] 2024 Nov 19; Vol. 12 (2), pp. 107. Date of Electronic Publication: 2024 Nov 19 (Print Publication: 2024).