Virtual Conference
Pharma Conference 2022

S. Siswandono

Universitas Airlangga, Indonesia

Title: Design and molecular docking of novel 5-O-Benzoylpinostrobin derivatives as anti-breast cancer

Abstract

The benzoylpinostrobin derivative shows affinities for estrogen receptors ? and ?, progesterone receptors, and human epidermal growth factor receptor 2 (HER2), both in the form of binding to agonist and antagonist ligands, but the highest was shown against HER2 receptors by 4-nitro-5-O-benzoylpinostrobin. The ligand provided the most negative ?G and the lowest Ki toward the antagonist form of HER2 with -12.79 kcal/mol and 0.42 nM, respectively. That affinity is 4 times higher than lapatinib, which is known as a potent HER2 inhibitor. Interestingly, the ligand has fewer Van der Waals interactions with amino acids than lapatinib, but the affinity shown is higher.

Biography

S. Siswandono completed his Ph.D. from Universitas Airlangga, Indonesia in 1999. He is the head of drug development group, in the Faculty of Pharmacy, Universitas Airlangga, Indonesia. He has over 100 publications and books that have been cited over 600 times, and his publication index-h is 13. He has been serving as an editorial board member of several reputed journals.