The Current Perspectives in Clinical Research: Computer-Assisted Drug Designing, Ethics, and Good Clinical Practice
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21 December 2021
21 December 2021
Published
31 May 2022
31 May 2022
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Abstract
In the era of emerging microbial and non-communicable diseases and re-emerging microbial infections, the medical fraternity and the public are plagued by under-preparedness. It is evident by the severity of the Coronavirus disease (COVID-19) pandemic that novel microbial diseases are a challenge and are challenging to control. This is mainly attributed to the lack of complete knowledge of the novel microbe’s biology and pathogenesis and the unavailability of therapeutic drugs and vaccines to treat and control the disease. Clinical research is the only answer utilizing which can handle most of these circumstances. In this review, we highlight the importance of computer-assisted drug designing (CADD) and the aspects of molecular docking, molecular superimposition, 3D-pharmacophore technology, ethics, and good clinical practice (GCP) for the development of therapeutic drugs, devices, and vaccines.
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2. Tabish SA. COVID-19 pandemic: Emerging perspectives and future trends. J Public Health Res. 2020;9(1):1786. doi:10.4081/jphr.2020.1786
3. Zoumpourlis V, Goulielmaki M, Rizos E, Baliou S, Spandidos DA. [Comment] The COVID‑19 pandemic as a scientific and social challenge in the 21st century. Mol Med Rep. 2020;22(4):3035-48. doi:10.3892/mmr.2020.11393
4. Vázquez J, López M, Gibert E, Herrero E, Luque FJ. Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches. Molecules. 2020;25(20):4723. doi:10.3390/molecules25204723
5. Anderson AC. The Process of Structure-Based Drug Design. Chem Biol. 2003;10(9):787-97. doi:10.1016/j.chembiol.2003.09.002
6. Takebe T, Imai R, Ono S. The Current Status of Drug Discovery and Development as Originated in United States Academia: The Influence of Industrial and Academic Collaboration on Drug Discovery and Development. Clin Transl Sci. 2018;11(6):597-606. doi:10.1111/cts.12577
7. Ursino M, Zohar S, Lentz F, Alberti C, Friede T, Stallard N, et al. Dose-finding methods for Phase I clinical trials using pharmacokinetics in small populations. Biom J. 2017;59(4):804-25. doi:10.1002/bimj.201600084
8. Van Norman GA. Phase II Trials in Drug Development and Adaptive Trial Design. JACC Basic Transl Sci. 2019;4(3):428-37. doi:10.1016/j.jacbts.2019.02.005
9. Umscheid CA, Margolis DJ, Grossman CE. Key concepts of clinical trials: a narrative review. Postgrad Med. 2011;123(5):194-204. doi:10.3810/pgm.2011.09.2475
10. Zhang X, Zhang Y, Ye X, Guo X, Zhang T, He J. Overview of phase IV clinical trials for postmarket drug safety surveillance: a status report from the ClinicalTrials.gov registry. BMJ Open. 2016;6(11):e010643. doi:10.1136/bmjopen-2015-010643
11. Dara S, Dhamecherla S, Jadav SS, Babu CM, Ahsan MJ. Machine Learning in Drug Discovery: A Review. Artif Intell Rev. 2022;55(3):1947-99. doi:10.1007/s10462-021-10058-4
12. Zhao L, Ciallella HL, Aleksunes LM, Zhu H. Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling. Drug Discov Today. 2020;25(9):1624-38. doi:10.1016/j.drudis.2020.07.005
13. Pinzi L, Rastelli G. Molecular Docking: Shifting Paradigms in Drug Discovery. Int J Mol Sci. 2019;20(18):4331. doi:10.3390/ijms20184331
14. Thomford NE, Senthebane DA, Rowe A, Munro D, Seele P, Maroyi A, et al. Natural Products for Drug Discovery in the 21st Century: Innovations for Novel Drug Discovery. Int J Mol Sci. 2018;19(6):1578. doi:10.3390/ijms19061578
15. Marchenko O, Fedorov V, Lee JJ, Nolan C, Pinheiro J. Adaptive Clinical Trials: Overview of Early-Phase Designs and Challenges. Ther Innov Regul Sci. 2014;48(1):20-30. doi:10.1177/2168479013513889
16. Vatansever S, Schlessinger A, Wacker D, Kaniskan HU, Jin J, Zhou MM, et al. Artificial intelligence and machine learning-aided drug discovery in central nervous system diseases: State-of-the-arts and future directions. Med Res Rev. 2021;41(3):1427-73. doi:10.1002/med.21764
17. Mouchlis VD, Afantitis A, Serra A, Fratello M, Papadiamantis AG, Aidinis V, et al. Advances in de Novo Drug Design: From Conventional to Machine Learning Methods. Int J Mol Sci. 2021;22(4):1676. doi:10.3390/ijms22041676
18. Insel TR, Voon V, Nye JS, Brown VJ, Altevogt BM, Bullmore ET, et al. Innovative solutions to novel drug development in mental health.Neursci Biobehav Rev. 2013;37(10 Pt 1):2438-44. doi:10.1016/j.neubiorev.2013.03.022
19. Zhou SF, Zhong WZ. Drug Design and Discovery: Principles and Applications. Molecules. 2017;22(2):279. doi:10.3390/molecules22020279
20. Hughes JP, Rees S, Kalindjian SB, Philpott KL. Principles of early drug discovery. Br J Pharmacol. 2011;162(6):1239-49. doi:10.1111/j.1476-5381.2010.01127.x
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1.
Kandi V, Vundecode A, Godalwar TR, Dasari S, Vadakedath S, Godishala V. The Current Perspectives in Clinical Research: Computer-Assisted Drug Designing, Ethics, and Good Clinical Practice. Borneo J Pharm [Internet]. 2022May31 [cited 2025Mar.26];5(2):161-78. Available from: https://journal.umpr.ac.id/index.php/bjop/article/view/3013
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