Two new substituted polychiral 5, 6-dihydro- α-pyrones from Orthosiphon diffusus and molecular docking studies

Publication date: December 2017 Source:Phytochemistry Letters, Volume 22 Author(s): Harish Holla, Akanksha Sharma, Pritesh Bhat, Dhananjay Shinde, Biswanath Das Chemical investigation on Orthosiphon diffusus lead to isolation of two new substituted polychiral 5, 6-dihydro-α-pyrones, orthodiffenes E-F (5-6) which were characterized from the detailed studies of their 1D and 2D NMR spectra. Isolated molecules orthodiffenes E-F (5-6) along with previously isolated, reported orthodiffene A-D (1-4) molecules were subjected to in silico studies and analysed for anticancer target Topoisomerse I-B − DNA complex. Orthodiffene D and E are giving noteworthy observations while all isolated molecules are showing a pattern of binding in active pocket similar to each other however, different from Camptothecin, an anticancer agent. Orthodiffene A-C have comparable cytotoxicity to Camptothecin, which we have earlier reported. Graphical abstract

Source: Phytochemistry Letters - September 10, 2017 Category: Chemistry Source Type: research