Insilico Design, Synthesis and Anticancer Activity of Novel Benzothiazole-Thiadiazole Hybrid Analogues As MPS1 Inhibitors

Posted: 3 Feb 2020

See all articles by Ashish Shah

Ashish Shah

Department of Pharmacy, Sumandeep Vidyapeeth

C N Patel

Shree Sarvajanik Pharmacy College

Date Written: January 31, 2020

Abstract

Human monopolar spindle 1 (MPS1) kinase (also known as TTK gene) is dual serine/threonine kinase that play dynamic role inspindle kinase assembly checkpoints (SAC) signalling pathways by controlling chromosomal alignment.Dysfunction of MPS1 found in different types of cancers like breast, thyroid, gastric, lungs etc. A series of novel benzothiazole-thiadiazole hybrid analogues were designed and screened using Insilico and In vitro methods. Insilico studies were performed by structure based virtual screening using Schrodinger Small-Molecule Drug Discovery suite. The Human monopolar spindle 1 (MPS1) kinase was found as most relevant target using Swiss Target Prediction. The molecular docking studies were performed on human monopolar spindle1 kinase protein obtained from the protein data bank. Fourteen compounds were screened on the basis of Insilico studies which were further synthesized and evaluated for anticancer activity. The anticancer screening of synthesized compounds was performed against colon cancer cell line CaCo-2 using MTT assay. We found six potent compounds which have IC50 value in the range between18-26µM. Promising results in Insilico and in vitro studies of these compounds shows, it could be further explored as novel MPS1 inhibitors.

Keywords: Insilico Design, Synthesis, benzothiazole-thiadiazole hybrid analogues, Anticancer, Monopolar spindle 1 (MPS1) kinase

JEL Classification: I

Suggested Citation

Shah, Ashish and Patel, Chhagan, Insilico Design, Synthesis and Anticancer Activity of Novel Benzothiazole-Thiadiazole Hybrid Analogues As MPS1 Inhibitors (January 31, 2020). Proceedings of International Conference on Drug Discovery (ICDD) 2020, Available at SSRN: https://ssrn.com/abstract=3529130

Ashish Shah (Contact Author)

Department of Pharmacy, Sumandeep Vidyapeeth ( email )

At Post Piparia
Taluka Waghodia
Vadodara, Gujarat 391760
India

Chhagan Patel

Shree Sarvajanik Pharmacy College ( email )

Nr arvind Baugh
Mehsana
India

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