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International Journal of Bioinformatics and Computational Biology Review Article

The Art of Drug Design and Process Chemistry

  1. Mohd. Wasiullah Department of Pharmacy, Prasad Institute of Technology, Jaunpur
  2. Piyush Yadav Department of Pharmacy, Prasad Institute of Technology, Jaunpur
  3. Sushil Yadav Department of Pharmacy, Prasad Institute of Technology, Jaunpur
  4. Roshan Yadav Department of Pharmacy, Prasad Institute of Technology, Jaunpur

Abstract

The creation of safe and efficient medications depends heavily on the art of drug design and process chemistry. This multidisciplinary discipline designs and optimizes drug candidates for therapeutic uses by fusing the concepts of biology, chemistry, and engineering. Researchers can develop compounds with pharmacological activity by using logical drug design techniques if they have a thorough understanding of the molecular targets implicated in disease pathways. By making it easier to predict molecular interactions and properties, computational techniques significantly improve the drug discovery process. These theoretical concepts are then translated into workable synthesis pathways, purification techniques, and scale-up procedures that are necessary to produce pharmaceuticals by process chemistry. This article delves into the complexities of process chemistry and drug design, examining the core ideas and real-world uses that spur innovation in Pharmaceutical Development.

Keywords

References (30)

  1. Alonso H, Bliznyuk AA, Gready JE. Combining docking and molecular dynamic simulations in drug design. Medicinal Research Reviews. 2006;26(5):531-568. doi:10.1002/med.20067
  2. Keserü GM, Makara GM. The influence of lead discovery strategies on the properties of drug candidates. Nature Reviews Drug Discovery. 2009;8(3):203-212. doi:10.1038/nrd2796
  3. Goodnow RA. Hit and lead identification: Integrated technology-based approaches. Drug Discovery Today: Technologies. 2006;3(4):367-375. doi:10.1016/j.ddtec.2006.12.009
  4. Fischer B, Merlitz H, Wenzel W. Receptor Flexibility for Large-Scale In Silico Ligand Screens. In: Molecular Modeling of Proteins. Springer; 2008. pp. 353–364.
  5. Jeffrey L, Robert A. Targeting Protein Multiple Conformations: A Structure-Based Strategy for Kinase Drug Design. Current Topics in Medicinal Chemistry. 2007;7(14):1394-1407. doi:10.2174/156802607781696783
  6. Chen YP, Chen F. Using Bioinformatics Techniques for Gene Identification in Drug Discovery and Development. Current Drug Metabolism. 2008;9(6):567-573. doi:10.2174/138920008784892056
  7. Searls DB. Data integration: challenges for drug discovery. Nature Reviews Drug Discovery. 2005;4(1):45-58. doi:10.1038/nrd1608
  8. Yang Y, Adelstein SJ, Kassis AI. Target discovery from data mining approaches. Drug Discovery Today. 2012;17:S16-S23. doi:10.1016/j.drudis.2011.12.006
  9. Huang B, Schroeder M. LIGSITE csc: Predicting ligand binding sites using the Connolly surface and degree of conservation. BMC Struct Biol. 2006;6:19. doi:10.1186/1472-6807-6-19.
  10. Song CM, Lim SJ, Tong JC. Recent advances in computer-aided drug design. Briefings in Bioinformatics. 2009;10(5):579-591. doi:10.1093/bib/bbp023
  11. DiMasi JA, Grabowski HG, Hansen RW. Innovation in the pharmaceutical industry: New estimates of R&D costs. Journal of Health Economics. 2016;47:20-33. doi:10.1016/j.jhealeco.2016.01.012
  12. Vohora D, Singh G, editors. Pharmaceutical medicine and translational clinical research. Academic Press; 2017.
  13. Zhong F, Xing J, Li X, Liu X, Fu Z, Xiong Z, et al. Artificial intelligence in drug design. Science China Life Sciences. 2018;61(10):1191-1204. doi:10.1007/s11427-018-9342-2
  14. Hou T, Xu X. Recent Development and Application of Virtual Screening in Drug Discovery: An Overview. Current Pharmaceutical Design. 2004;10(9):1011-1033. doi:10.2174/1381612043452721
  15. Yu W, MacKerell AD. Computer-Aided Drug Design Methods. Methods in Molecular Biology. 2016:85-106. doi:10.1007/978-1-4939-6634-9_5
  16. Macalino SJY, Gosu V, Hong S, Choi S. Role of computer-aided drug design in modern drug discovery. Archives of Pharmacal Research. 2015;38(9):1686-1701. doi:10.1007/s12272-015-0640-5
  17. Duch W, Swaminathan K, Meller J. Artificial Intelligence Approaches for Rational Drug Design and Discovery. Current Pharmaceutical Design. 2007;13(14):1497-1508. doi:10.2174/138161207780765954
  18. Huang HJ, Yu HW, Chen CY, Hsu CH, Chen HY, Lee KJ, et al. Current developments of computer-aided drug design. Journal of the Taiwan Institute of Chemical Engineers. 2010;41(6):623-635. doi:10.1016/j.jtice.2010.03.017
  19. Hassan Baig M, Ahmad K, Roy S, Mohammad Ashraf J, Adil M, Haris Siddiqui M, et al. Computer Aided Drug Design: Success and Limitations. Current Pharmaceutical Design. 2016;22(5):572-581. doi:10.2174/1381612822666151125000550
  20. Skariyachan S, Challapilli SB, Packirisamy S, Kumargowda ST, Sridhar VS. Recent Aspects on the Pathogenesis Mechanism, Animal Models and Novel Therapeutic Interventions for Middle East Respiratory Syndrome Coronavirus Infections. Frontiers in Microbiology. 2019;10. doi:10.3389/fmicb.2019.00569
  21. Amin SA, Jha T. Fight against novel coronavirus: A perspective of medicinal chemists.
  22. Eur J Med Chem. 2020;201:112559. doi:10.1016/j.ejmech.2020.112559.
  23. Goyal B, Goyal D. Targeting the Dimerization of the Main Protease of Coronaviruses: A Potential Broad-Spectrum Therapeutic Strategy. ACS Combinatorial Science. 2020;22(6):297-305. doi:10.1021/acscombsci.0c00058
  24. Dai W, Zhang B, Jiang XM, Su H, Li J, Zhao Y, et al. Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science. 2020;368(6497):1331-1335. doi:10.1126/science.abb4489
  25. Tu YF, Chien CS, Yarmishyn AA, Lin YY, Luo YH, Lin YT, et al. A Review of SARS-CoV-2 and the Ongoing Clinical Trials. International Journal of Molecular Sciences. 2020;21(7):2657. doi:10.3390/ijms21072657
  26. Gopal D, Skariyachan S. Recent Perspectives on COVID-19 and Computer-Aided Virtual Screening of Natural Compounds for the Development of Therapeutic Agents Towards SARS-CoV-2. Methods in Pharmacology and Toxicology. 2020:433-471. doi:10.1007/7653_2020_44
  27. Pillaiyar T, Meenakshisundaram S, Manickam M. Recent discovery and development of inhibitors targeting coronaviruses. Drug Discovery Today. 2020;25(4):668-688. doi:10.1016/j.drudis.2020.01.015
  28. Batool M, Ahmad B, Choi S. A Structure-Based Drug Discovery Paradigm. International Journal of Molecular Sciences. 2019;20(11):2783. doi:10.3390/ijms20112783
  29. Lionta E, Spyrou G, Vassilatis D, Cournia Z. Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances. Current Topics in Medicinal Chemistry. 2014;14(16):1923-1938. doi:10.2174/1568026614666140929124445
  30. Kalyaanamoorthy S, Chen YPP. Structure-based drug design to augment hit discovery. Drug Discovery Today. 2011;16(17-18):831-839. doi:10.1016/j.drudis.2011.07.006