Abstract

SYNTHESIS, BIOLOGICAL ACTIVIY AND MOLECULAR PROPERTIES PREDICTION OF HETEROCYCLIC COMPOUNDS

Hemalatha Sattu*, Lakshmi Boppena

ABSTRACT

A novel series of pyrazolines (5a-j) were synthesized by cycloaddition of various chalcones (prepared by claisen-schmidt condensation of 3- acetyl-2, 5-dimethyl thiophene and various aromatic aldehydes) with phenyl hydrazine in presence of pyridine and subjected to molecular properties prediction by molinspiration, molsoft and osiris softwares. The structures of new compounds were established by 1HNMR, IR, mass spectral data and elemental analysis. Most of the synthesized compounds (5a-j) were found to be on conformity with lipinski’s “rule of five” and other parameters, for their onward screening for antimicrobial and antifungal activity as oral active leads/ drugs. The newly synthesized compounds were evaluated for antibacterial and antifungal activities. Some of the final synthesized compounds have exhibited promising antibacterial activity and antifungal activity.

Keywords: pyrazolines, chalcones, molecular properties prediction, antibacterial activity, antifungal activity.