Title: The challenges in information technology based drug discovery

Authors: Ashis K. Mukherjee, Anil C. Ghosh

Addresses: Chembiotek Research International, Block BN, Plot 7, Sector V, Salt Lake Electronic Complex, Calcutta 700091, India. Chembiotek Research International, Block BN, Plot 7, Sector V, Salt Lake Electronic Complex, Calcutta 700091, India

Abstract: As we have entered the 21st century, the convergence of pharmaceutical science and informational technology is providing unprecedented opportunities for prevention and management of diseases. The application of software technology has penetrated into all spheres of drug discovery, development and manufacturing process. The advent of combinatorial chemistry has revolutionised the new drug discovery processes. The information technology driven approach involving the automated High Throughput Screening process now permits up to 50,000-100,000 samples to be studied per day. This paper provides an overview of the information based drug discovery process in its present context and explains how Information technology (IT) and computational advances and genomic technologies are leading to an information revolution in the world of biology and medicine.

Keywords: Combinatorial Chemistry (CC); molecular modelling; Rational Drug Design (RDD); High-throughput Screening (HTS); Information Technology (IT); LeBrain; DNA chips and microarrays; genomics and proteomics.

DOI: 10.1504/IJITM.2002.001204

International Journal of Information Technology and Management, 2002 Vol.1 No.4, pp.345-356

Published online: 01 Jul 2003 *

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