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Computer Aided Drug Designing
Designing of drugs and their development are a time and resource consuming process. There is an increasing effort to introduce the role of computational approach to chemical and biological space in order to organise the design and development of drugs and their optimisation. The role of Computer Aided Drug Designing (CADD) are nowadays expressed in Nanotechnology, Molecular biology, Biochemistry etc. It is a diverse discipline where various forms of applied and basic researches are interlinked with each other. Computer aided or in Silico drug designing is required to detect hits and leads. Optimise/ alter the absorption, distribution, metabolism, excretion and toxicity profile and prevent safety issues. Some commonly used computational approaches include ligand-based drug design, structure-based drug design, and quantitative structure-activity and quantitative structure-property relationships. In today's world, due to an avid interest of regulatory agencies and, even pharmaceutical companies in advancing drug discovery and development process by computational means, it is expected that its power will grow as technology continues to evolve. The main purpose of this review article is to give a brief glimpse about the role Computer Aided Drug Design has played in modern medical science and the scope it carries in the near future, in the service of designing newer drugs along with lesser expenditure of time and money.
Keywords
Computer-Aided Drug Design, Structure Based Drug Design, Ligand-Based Drug Design, Pharmacophore Model, Molecular Modelling.
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- Kumar SC. An Insight to Drug Designing by in Silico approach in Biomedical Research. J Pub Health Med Res 2013;1(2):63-5.
- Kapetanovic IM. Computer Aided Drug Discovery and Development: in silico-chemo-biological approach. Chem Biol Interact 2008; 171(2):165–76.
- Kore PP, Mutha MM, Antre RV, Oswal RJ, Kshirsagar SS. Computer-Aided Drug Design: An Innovative Tool for Modeling. Open Journal of Medicinal Chemistry 2012; Nov2:139-48.
- Veselovsky AV, Ivanov AS. Strategy of Computer-Aided Drug Design. Current Drug Targets - Infectious Disorders 2003;3:33-40.
- Rahman MM, Karim MR, Ahsan MQ, Khalipha ABR, Chowdhury MR, Saifuzzaman M. Use of computer in drug design and drug discovery: a review. International Journal of Pharmaceutical and Life sciences 2012;1(2):1-21.
- Bharath EN, Manjula SN, Vijaychand A. In Silico Drug Design tool for overcoming the innovation deficit in the drug discovery process. International journal of Pharmacy and Pharmaceutical sciences 2011;3(2):1-5.
- Kumar GP, Pushpa A, Neeta S, Suhasini HB. In Silico modelling and drug design- A review. IRJP 2011;2(9):15-7.
- Waterbeemd HVD, Gifford E. ADMET in silico modelling: Towards prediction paradise? Nature Reviews Drug Discovery 2003;2:191-204.
- Galperin MY, Koonin EV. Comparative Genome Analysis. Baxevanis AD, Francis Ouellette B, editors. Bioinformatics: A Practical Guide to the Analysis of Genes and Proteins. 2nd ed. New York: A John Wiley & Sons; 2001.p.359-92.
- Borman S. New QSAR Techniques Eyed for Environmental Assessments. Chem Eng News 1990;68:20-3.
- Verlinde CLMJ, Hol WGJ. Structure-based drug design: progress, results and challenges. Structure 1994;2(7):577-87.
- Anderson AC. The process of Structure Based Drug Design. J Chembiol 2003;10:787-97.
- Crasto AM. All About Drugs. Mumbai, India:[Publisher unknown]; Available from: http://www.allfordrugs.com/drug-design/
- Mallipeddi PL, Kumar G, White SW, Webb TR. Recent Advances in Computer-Aided Drug Design as Applied to Anti-Influenza Drug Discovery. Current Topics in Medicinal Chemistry 2014;14:1875-89.
- Ou- Yang SS, Lu JY, Kong XQ, Liang ZJ, Luo C, Jiang H. Computational drug discovery. Acta Pharmacologica Sinica 2012;33:1131–40.
- Jorgensen WL. The Many Roles of Computation in Drug Discovery. Science 2004; 303:1813-17.
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