Euro Physical Chemistry 2020 Nature-Inspired Chemical Reaction Optimisation Algorithms Bina S Siddiqui, University of Karachi

摘要

Recent efforts to develop cure for chronic diabeticcomplications have led to the discovery of potent inhi-bitorsagainst aldose reductase (AKR1B1, EC 1.1.1.21) whose role indiabetes is well-evident. In the pre-sent work, two new naturalproducts were isolated from the ariel part of Ocimumbasilicum; 7-(3-hydroxypropyl)-3-methyl-8-b-O-D-glucoside-2H-chromen-2-one and E-4-(60-hydroxyhex-30-en-1-yl)phenylpropionate (2) and confirmed their structures with differentspectroscopic techniques includingNMR spectroscopy etc. Theisolated compounds (1,2) were evaluated for in vitro inhibitoryactivityagainst aldose reductase (AKR1B1) and aldehydereductase (AKR1A1). The natural product (1) showedbetterinhibitory activity for AKR1B1 with IC50value of 2.095 ± 0.77mM compare to standard sorbinil(IC50= 3.14 ± 0.02 mM).Moreover, the compound also showed multifolds higheractivity(IC50= 0.783 ± 0.07 mM) against AKR1A1 ascompared to standard valproic acid (IC50= 57.4 ± 0.89mM).However, the natural product showed slightly loweractivity for AKR1B1 (IC50= 4.324 ± 1.25 mM).Moreover, themolecular docking studies of the potent inhibitors were alsoperformed to identify theputative binding modes within theactive site of aldose/aldehyde reductases.