DRUG DISCOVERY: AN APPRAISAL

Authors

  • V. Umashankar HOD,Centre for bioinformatics Vision research foundation Sankaranethralya Chennai Tamilnadu 600006 India
  • S. Gurunathan Assistant Professor, Department of Biotechnology, National College, Tiruchirapalli, Tamilnadu, India – 620 001

Keywords:

Computational Drug Discovery, Drug Discovery Pipeline, Modern Drug Discovery, Open Source, OSDD

Abstract

The process of drug discovery and development has undergone radical changes over the years. Introduction of several novel technologies in genomics, proteomics and other omics areas have enabled drug target identification and validation more specific. In silico virtual screening and other computational chemistry methods like QSAR (Quantitative Structure-Activity Relationship) and QSPR (Quantitative Structure-Property Relationship) have enabled the emergence of new drugs with minimal toxicity and higher efficacy in this post-genomics era. Moreover, initiative like Open Source Drug Discovery (OSDD) is playing a promising role in accelerating the pace of drug discovery process. Better understanding of these methods and initiatives by researchers will kindle interest towards adopting it. Hence, by this review, we intend to present a comprehensive view of overall transition and modernization of the drug discovery process and it's impacts on the scientific community.

 

Downloads

Download data is not yet available.

References

Amini S, Tavazoie S. Antibiotics and the post-genome revolution. Curr Op Microbiol 2011;14:513–8.

Ashrafuzzaman M. Aptamers as both drugs and drug-carriers. BioMed Res Int 2014. http://dx.doi.org/ 10.1155/ 2014/ 697923.[Articles in Press]

Herrling PL. The drug discovery process. Prog Drug Res 2005;62:1–14.

Sweeny K. Technology trends in drug discovery and development: implications for the development of the pharmaceutical industry in australia. Pharmaceutical Industry Project Equity, Sustainability and Industrial Development, Working Paper Series; 2002.

Prakash N, Devangi P. Drug Discovery. J Antivirals Antiretrovirals 2010;2:63-8.

Harvey AL. Natural products in drug discovery. Drug Discov Today 2008;13:894-901.

Morgan S, Grootendorst P, Lexchin J, Cunningham C, Greyson D. The cost of drug development: a systematic review. Health Policy 2011;100:4-17.

Smith CG, O’Donnell JT. Overview of the current process of new drug discovery and development. In: Smith CG, O’Donnell JT, editors. The process of new drug discovery and development. Informa healthcare; 2006. p. 7-13.

Lim HA. Bioinformatics and cheminformatics in the drug discovery cycle. In: Hofestädt R, Lengauer T, Löffler M, Schomburg D, editors. Bioinformatics. Berlin: Springer-Verlag; 1997. p. 30–43.

Duggan G, Fejes A, Ingram C, Salazar M, Sirski M. Drug Discovery in the Bioinformatics age; 2000.

Ratti E, Trist D. Continuing evolution of the drug discovery process. Pure Appl Chem 2001;73:67-75.

Verpoorte R. Exploration of nature's chemodiversity: the role of secondary metabolites as leads in drug development. Drug Discov Today 1998;3:232-8.

Sneader W. Drug Discovery: A history. Wiley (NY); 2005.

Burger A. Medicinal Chemistry. Wiley (NY); 1970.

Walsh G. Pharmaceutical biotechnology: Concepts and applications. John Wiley (UK); 2007.

Congreve M, Murray CW, Blundell TL. Structural biology and drug discovery. Drug Discovery Today 2005;10:895-907.

Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Delivery Rev 1997;23:3-25.

Boehm HJ, Boehringer M, Bur D, Gmuender H, Huber W, Klaus W, et al. Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization. A promising alternative to random screening. J Med Chem 2000;43:2664-74.

Drews J. Drug discovery: a historical perspective. Sci 2000;287:1960–4.

Lander ES, Linton LM, Birren B, Nusbaum C, Zody MC, Baldwin J, et al. Initial sequencing and analysis of the human genome. Nat 2001;409:860–921.

Venter JC, Adams MD, Myers EW, Li PW, Mural RJ, Sutton GG, et al. The sequence of the human genome. Sci 2001;291:1304–51.

Broder S, Venter JC. Sequencing the entire genomes of free-living organisms: the foundation of pharmacology in the new millennium. Annu Rev Pharmacol Toxicol 2000;40:97–132.

Ward SJ. Drug discovery and genomics technologies: Impact of genomics in drug discovery. BioTechniques 2001;31:626-30.

Day M, Rutkowski JL, Feuerstein GZ. Translational medicine-a paradigm shift in modern drug discovery and development: The role of biomarkers: In Guzmán CA, Feuerstein GZ, editors. Pharmaceutical Biotechnology. Landes Bioscience and Springer Science; 2009. p. 1-12.

Harikumar SL, Neha S. Use of genomics and proteomics in pharmaceutical drug discovery and development: a review. Int J Pharm Pharm Sci 2013;5:24-8.

Tang Y, Zhu W, Chen K, Jiang H. New technologies in computer-aided Drug design: Toward target identification and new chemical entity discovery. Drug discov today. Technol 2006;3:307-13.

Gupta D. Pharmacogenomics in drug discovery and development. J Dev Drugs 2013;2:e126.

Ganguly NK, Bano R, Seth SD. Human genome project: pharmacogenomics and drug development. Indian J Exp Biol 2001;39:955-61.

Burmester JK, Sedova M, Shapero MH, Mansfield E. DMET microarray technology for pharmacogenomics-based personalized medicine. Methods Mol Biol 2010;632:99-124.

Costa L, Casimiro S, Gupta S, Knapp S, Pillai MR, Toi M, et al. The global cancer genomics consortium’s third annual symposium: from oncogenomics to cancer care. Genes Cancer 2014;5:64-70.

Hall SE. Chemoproteomics-driven drug discovery: addressing high attrition rates. Drug Discovery Today 2006;11:495–502.

Sliwoski G, Kothiwale S, Meiler J, Lowe EW. Computational methods in drug discovery. Pharmacol Rev 2014;66:334–95.

Saha D, Emran TB, Saha SP. Bioinformatics: The effects on the cost of drug discovery. Galle Med J 2013;18:44-50.

Shi L, Tong W, Lu X. Biochemoinformatics: Integrating bioinformatics and chemoinformatics for drug discovery and development. Eur Pharm Rev Drug Dis Technol 2003. Available from http://chipscreen.gotoip4.com/articleFile/lMSHI_EBR.pdf [Last accessed 18 Sep 2014].

Baldi A. Computational approaches for drug design and discovery: an overview. Syst Rev Pharm 2010;1:99-105.

Masoudi-Nejad A, Mousavian Z, Bozorgmehr JH. Drug-target and disease networks: polypharmacology in the post-genomic era. In Silico Pharm 2013;1:17.

Chen YP, Chen F. Identifying targets for drug discovery using Bioinformatics. Expert Opin Ther Targets 2008;12:383–9.

Du GH. Evaluation and validation of drug targets. Acta Pharmacol Sin 2004;25:1566.

Mohd A, Jyoti DA. Current trends in drug discovery: target identification to clinical development of the drug. Int Res J Pharm 2012;3:23-7.

Wang S, Sim TB, Kim YS, Chang YT. Tools for target identification and validation. Curr Opin Chem Biol 2004;8:371-7.

Bleicher KH, Bohm HJ, Muller K, Alanine AI. Hit and lead generation: beyond high-throughput screening. Nat Rev Drug Discovery 2003;2:369-78.

Rahman MM, Karim MR, Ahsan MQ, Khalipha ABR, Chowdhury MR, Saifuzzaman M. Use of computer in drug design and drug discovery: A review. Int J Pharm Life Sci 2012;1:1-21.

Kalyani G. A review on drug designing, methods, its applications and prospects. Int J Pharm Res Dev 2013;5:15-30.

Suryawanshi SB, Nazeruddin GM. Computer aided drug discovery and development-an important need of the hour. Int J Pharm Chem Sci 2013;2:293-96.

Kore PP, Mutha MM, Antre RV, Oswal RJ, Kshirsagar SS. Computer-Aided drug design: an innovative tool for modeling. Open J Med Chem 2012;2:139-48.

Altschul SF, Gish W, Miller W, Myers EW, Lipman DJ. Basic local alignment search tool. J Mol Biol 1990;215:403-10.

McWilliam H, Li W, Uludag M, Squizzato S, Park YM, Buso N, et al. Analysis tool web services from the EMBL-EBI. Nucleic Acids Res 2013;41:W597-600.

Rice P, Longden I, Bleasby A. Emboss: the european molecular biology open software suite. Trends Gene 2000;16:276–7.

Bio Edit tool: Available from: www.mbio.ncsu.edu/bioedit/bioedit.html. [Last accessed 1 Dec 2014].

Rasmol tool: Available from: www.openrasmol.org. [Last accessed 1 Dec 2014].

The PyMOL Molecular Graphics System, Version 1.5.0.4 Schrödinger, LLC: Available from: www.pymol.org (Last accessed 5 Dec 2014).

Guex N, Peitsch MC. Swiss-PdbViewer: A fast and easy-to-use PDB viewer for macintosh and PC. Protein Data Bank Quaterly Newsletter 1996;77:7.

Accelrys Software Inc. Discovery Studio Modeling Environment, Release 4.0, San Diego: Accelrys Software Inc; 2013.

Schwede T, Kopp J, Guex N, Peitsch MC. Swiss-model: an automated protein homology-modeling server. Nucleic Acids Res 2003;31:3381-5.

Sali A, Blundell TL. Comparative protein modelling by satisfaction of spatial restraints. J Mol Biol 1993;234:779-815.

Kelley LA, Sternberg MJE. Protein structure prediction on the web: a case study using the Phyre server. Nat Protoc 2009;4:363–71.

PubMed: Medline retrieval on the world wide web". Fact Sheet. United States National Library of Medicine. [Last accessed 7 Jun 2002].

Tateno Y, Imanishi T, Miyazaki S, Fukami-Kobayashi K, Saitou N, Sugawara H, et al. DNA Data Bank of Japan (DDBJ) for genome scale research in life science. Nucleic Acids Res 2002;30:27–30.

Benson DA, Cavanaugh M, Clark K, Karsch-Mizrachi I, Lipman DJ, Ostell J, Sayers EW. "Gen Bank". Nucleic Acids Res 2012;41:D36–D42.

Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, et al. The protein data bank. Nucleic Acids Res 2000;28:235–42.

Kanehisa M, Goto S. Kegg: kyoto encyclopedia of genes and genomes. Nucleic Acids Res 2000;28:27–30.

ISIS/Draw Tool: Available from: http://mdl-isis-draw.updatestar.com. [Last accessed 5 Dec 2014].

Mills N. Chem draw ultra 10.0. J Am Chem Soc 2006;128:13649–50.

ACD Chemsketch Tool: Available from: http://www.acdlabs.com/resources/freeware/chemsketch. [Last accessed 1 Dec 2014].

ChemAxon Marvinsketch Tool: Available from: http:// www.chemaxon.com/products/marvin/marvinsketch. [Last accessed 1 Dec 2014].

JME Molecular Editor Tool: Available from: http://www.molinspiration.com/jme [Last accessed 1 Dec 2014].

ISIS/Base Database: Available from: http://mdl-information-system-isis-base.software.informer.com/2.4/. [Last accessed 15 Dec 2014].

ACD/Chemfolder Software: Available from: http://www.acdlabs.com/products/km/ackm/chemfolder. [Last accessed 15 Dec 2014].

Chemspider Database: Available from http://www. chemspider.com. [Last accessed 15 Dec 2014].

NCBI PubChem Database: Available from: https:// pubchem.ncbi.nlm.nih.gov. [Last accessed 15 Dec 2014].

Cambridge structural database (CSD): Available from: www.ccdc.cam.ac.uk/products/csd. [Last accessed 15 Dec 2014].

Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, et al. Chembl: a large-scale bioactivity database for drug discovery. Nucleic Acids Res 2012;40:D1100-D1107.

O'Boyle NM, Banck M, James CA, Morley C, Vandermeersch T, Hutchison GR. Open babel: an open chemical toolbox. J Chem 2011;3:33.

AutoDock Software: Available from: http://mgltools.scripps. edu/downloads [Last accessed 15 Dec 2014].

ArgusLab Software: Available from: http://arguslab.en. softonic.com/download. [Last accessed 15 Dec 2014].

DDL VEGAZZ Software: Available from: http:// nova.disfarm.unimi.it/cms/index.php?Software_projects:VEGA_ZZ. [Last accessed 15 Dec 2014].

HEX Software: Available from: http://hex.loria.fr. [Last accessed 15 Dec 2014].

Amant KS, Still B. editors. Handbook of research on open source software: Technological, economic, and social perspectives. 1st Ed. Hershey: IGI Global; 2007.

Ardal C, Rottingen JA. Open source drug discovery in practice: a case study. PloS Negl Trop Dis 2012;6:e1827.

Masum H, Schroeder K, Khan M, Daar A. Open source biotechnology platforms for global health and development: two case studies. Inf Tech Int Dev J 2011;7:61–9.

Maurer S, Scotchmer S. Open source software: The new intellectual property paradigm. In: Amsterdam WA. editor. Handbook of Economics and Information Systems. Amsterdam: Elsevier; 2006. p. 285-322.

Ardal C, Alstadsæter A, Rottingen JA. Common characteristics of open source software development and applicability for drug discovery: a systematic review. Health Res Policy Syst 2011;9:36.

Maurer SM, Rai A, Sali A. Finding cures for tropical diseases: Is open source an answer? PLoS Med 2004;1:56.

Sugumaran G. Open source drug discovery–redefining IPR through open source innovations. Curr Sci 2012;102:1637-9.

Published

01-04-2015

How to Cite

Umashankar, V., and S. Gurunathan. “DRUG DISCOVERY: AN APPRAISAL”. International Journal of Pharmacy and Pharmaceutical Sciences, vol. 7, no. 4, Apr. 2015, pp. 59-66, https://journals.innovareacademics.in/index.php/ijpps/article/view/4859.

Issue

Section

Review Article(s)