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Vol. 9, Issue 1 (2020)

Molecular docking study and antibacterial activity of novel chalcone derivatives

Chavan Awinash and Sabale Prafulla
Chalcones are the natural phytoconstituents widely distributed in plants originate in fruits, vegetables, grains, bark, roots, stems, flowers, tea and wine. Chalcones with different substituents have revealed a variety of biological activities that may benefit human heaths, with marked biological significance such as Antimicrobial, Anti-inflammatory, Anticancer activity and Antioxidant. Hence, Chalcones are considered as an indispensable component in a variety of nutraceutical, pharmaceutical, medicinal and cosmetic applications with versatile health benefits. Present research a novel series of synthetic Chalcone derivatives (a-j) have been synthesized after 3D QSAR studies. This work deals with a molecular docking study of novel chalcone derivatives was performed by using Schrodinger (Maestro 11.5v) with PDB Id: 4PVR for drug protein interaction study. Synthesize novel chalcone are carried out using Acetophenone and substituted aldehydes to form Chalcone derivatives. Novel chalcone derivatives were assess for antibacterial activity against Escherichia coli, Staphylococcus aureus. Among the synthesized compounds (h, i and j) showed good antibacterial activity; whereas compounds (d, f, g) shows moderate antibacterial activity comparable to the reference drug Chloramphenicol. Thus, the conclusion can be made that the designed moiety can exhibit a good antibacterial activity. Compounds (h, i and j) derivatives were most active with (-8.286, -8.056, -8.000) docking score and (-8.286, -8.078, -8.112) Glide score respectively comparatively higher than standard (Chloramphenicol) Docking Score (-7.564) and standard Glide Score (-7.725).
Pages: 39-42  |  1554 Views  558 Downloads

The Pharma Innovation Journal
How to cite this article:
Chavan Awinash, Sabale Prafulla. Molecular docking study and antibacterial activity of novel chalcone derivatives. Pharma Innovation 2020;9(1):39-42.

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