Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry and Computational Chemistry

Abstract

Synthesis and molecular docking studies of new substituted indazole derivatives for anti-breast cancer activity

Author(s): M. Thirupalu Reddy, V. Hanuman Reddy, R. Chenna Krishna Reddy, V. Krishna Reddy and Y. V. Rami Reddy

New substituted indazole derivatives were synthesized and studied their docking properties. Their computational docking analysis supported them as good therapeutic agents to the breast cancer aromatase enzyme and ascertained 5f as potential molecules with good binding affinities varying from -8.0 kcal/mol and formed contacts with the NH1 & NH2 atoms of Arg115 by the distance of 3.3 & 3.2 Ao respectively. Compound 5g and compound 5n has shown similar binding energy of -7.7 kcal/mol. Majority of the compounds shown interaction with active site residues of Arg115 and Met374, respectively.


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