Abstract

INSILICO DESIGN, SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL EVALUATION OF THIADIAZOLE THIOUREA DERIVATIVES

Revasree V.* and Arun Lal V. B.

ABSTRACT

Heterocyclic moieties can be found in a large number of compounds which display biological activity. The biological activity of the compounds is mainly dependent on their molecular structures.1, 3, 4-thiadiazoles are very interesting compounds due to their important applications in many pharmaceutical, biological and analytical fields. Thiadiazole exhibit number of activities like antimicrobial, anticancer, anti-inflammatory, antidiabetic, anti convulsant etc. The aim and objective of present study was to develop novel thiadiazole analogues in favour of the molecular docking studies and to evaluate their cytotoxic activities. The molecular docking studies of the proposed derivatives were carried out using softwares- Argus lab, Molegro molecular viewer. The anti- cancer targets used is EGFR and those with better scores were selected and subjected for the wet lab synthesis. In this study, 7 novel thiadiazole thiourea- Schiff‟s bases were synthesized. Purity of the newly synthesized compounds was ascertained by consistency in the TLC as well as melting point determination and was characterized by means of FT-IR, 1HNMR, and MASS spectral analysis. Cytotoxicity studies done in-vitro by MTT assay on MCF-7 cell lines. Among this T2C, T4C and T4F show significant activity on the cell line. Finally it was concluded that novel thiadiazole derivatives hybrid analogues can be considered as the future lead molecule for drug discovery process.

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