Article Abstract

	Title:	Insilico analysis of homocamptothecin (hCPT) analogues for anti-tumour activity
	Author:	Viral Vadwai, Shine Devaraj
	Address:	Department of Biotechnology, Dr. D.Y. Patil Institute for Biotechnology and Bioinformatics, Plot No. 50, Sector 15, C.B.D. Belapur, Mumbai 400614, India. ' Department of Bioinformatics, Dr. D.Y. Patil Institute for Biotechnology and Bioinformatics, Plot No. 50, Sector 15, C.B.D. Belapur, Mumbai 400614, India
	Journal:	International Journal of Bioinformatics Research and Applications 2009 - Vol. 5, No.6  pp. 603 - 615
	Abstract:	Cancer being a leading cause of death, the development of anti-cancer drugs like Camptothecin (CPT) has been promoted. CPT has lactone ring instability and lacks lipophilicity resulting in drug efflux. Owing to these limitations, homocamptothecin (hCPT), a CPT analogue was developed, which due to seven membered beta-hydroxylactone ring has better lipophilicity leading to reduced drug efflux. Analogues of hCPT were designed and docked into catalytic site of 1t8i (PDB id) protein (top-I). The docking energies and formation of hydrogen-bonds between the analogue and protein were compared with the original hCPT. Further, ADME properties, LogP and IC50 values were determined computationally.
	Keywords:	hCPT analogues; homocamptothecin; top I; topoisomerase I; logP; IC50; ADME; insilico analysis; anti-tumour activity; anti-cancer drugs; cancer; drug efflux; proteins.
	DOI:	10.1504/IJBRA.2009.029041
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