Anticancer potential of β-sitosterol and oleanolic acid as through inhibition of human estrogenic 17beta-hydroxysteroid dehydrogenase type-1 based on an in silico approach
Alfinda Novi Kristanti, Nanik Siti Aminah, Imam Siswanto, Yosephine Sri Wulan Manuhara, Muhammad Ikhlas Abdjan, Andika Pramudya Wardana, Ei Ei Aung, Yoshiaki Takaya · RSC Advances · 2022
) suggested several key residues that were also responsible for the interaction with inhibitors, such as C1-HSD17B1 (six residues: Leu96, Leu149, Pro187, Met193, Val225, and Phe226) and C2-HSD17B1 (four residues: Ile14, Gly94, Pro187, and Val188). Hopefully, the obtained results from this research could be considered for the mechanistic inhibition of the HSDS17B1 enzyme at molecular and atomistic levels.