VIRTUAL SCREENING AND DOCKING STUDIES OF SYNTHESIZED CHALCONES: A POTENT ANTI- CANCER DRUGS
Anjitha K.* and Baskar Lakshmanan
A novel series of chalcones are characterized by processing an enone moiety between two aromatic rings. The chalcone- like agents, during which the covalent bond of the enone system is embedded with in indole ring. Statistically significant structure –based qualitative structure activity relationship models were generated and validated through acceptable predictive ability to support internal and external set of compounds. Screening of most valuble drug among of pre-synthesized drug on the idea of binding efficiency to focus on receptor was administered by docking view. Molecular docking programme Glide iGEMDock was wont to determine binding feasibility of seven analogues of chalcones. The comparison of docking parameters showed, quite 5 analogues are better ligand of 3HB5. The binding of chalcones to 3HB5 is mediated by both hydrogen bonding, hydrophobic and polar interactions. Our result suggest that chalcones analogues are promising lead compounds for the event of anti-cancer drugs (mainly the brest cancer).
Keywords: Chalcones, Docking, Binary And Ternary Of Novel Inhibitor Of 17 Beta-HSD, Structure Activity Relationship, Ligand, Indole, Igem Docking.
[Full Text Article]