• G.Aruna
• G.Achaiah

A series of 20 compounds were prepared by condensation of hydrazinylbenzothiazole derivatives (R= -H, -Cl, -CH3, -CF3, -NO2) with substituted indole (R’= -H, -NO2, -Br, -CH3). Hydrazinylbenzothiazole derivatives were prepared by treating 2-aminobenzothiazole with hydarzinehydrate in presence of ethyleneglycol. The synthesized compounds are characterized by different spectroscopic techniques, are evaluated for anti-cancer activity and docking studies are also further carried by using AUTODOCK 4.2 to find out the molecules with optimum interactions. All the derivatives showed IC50 values in the range of 8.53-12.6µM against MCF-7 cells. The compound (20) R’=NO2 & R=CF3 exhibited highest potency with value of IC50=8.53µM whereas compound (10) R’=H & R=Cl without any substituent on indole nucleus showed least potency with IC50 value of IC50=12.6µM. However, all six compounds were less potent than the standard cisplatin, which showed IC50 of 1.18µM and doxorubicin, which showed IC50 of 2.21µM. Significantly all the six derivatives were found to be less toxic to MCF-10A cells also when compared to the standard cisplatin. Docking study is also done by taking crystal structure of protein 3HY3, structure of human MTHFS with 10-formyltetrahydrofolate) from Homo sapiens using AUTODOCK 4.2. The results showed that the compound (8) R’ = NO2, R=NO2 exhibited highest binding energy of -10.97 kcal/mol with interacting Lys 150 anf Gln 113. Nine molecules were shown interacting with Arg148 and 7 molecules were interacting with Arg 148 and Thr 152.

Indole-benzothiazole hybrids, Docking Studies, Anticancer activity. 1.Introduction:

"Design, Synthesis, Docking Studies and Evaluation of Benzothiazole and Indole based analogs for anti-cancer agents.", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.6, Issue 1, page no.552-571, January-2019, Available :http://www.jetir.org/papers/JETIR1901572.pdf

"Design, Synthesis, Docking Studies and Evaluation of Benzothiazole and Indole based analogs for anti-cancer agents.", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.6, Issue 1, page no. pp552-571, January-2019, Available at : http://www.jetir.org/papers/JETIR1901572.pdf