A comprehensive analysis of pharmaceutical compound utilization in the context of molecular docking
DOI:
https://doi.org/10.37591/(rrjobi).v10i3.1517Keywords:
Drug design, drug discovery and development, QSAR, molecular docking, molecular dynamics, virtual analysisAbstract
Drug design is a longstanding and complex medical science. There have been many successes in drug development since the late 19th century, when Emil Fisher suggested that the interaction between drugs was similar to a key and a lock. Drug development has increasingly evolved into qualitative research integrated with theoretical and practical methods. Drug development is no w the best path to drug discovery. It uses the latest advances in science andtechnology and incorporates them into its extensive arsenal of methods and tools to achieve its main goal: to discover effective, unique, nontoxic, safe and effective medicine
References
Drugs@FDA Glossary. US Food and Drug Administration; Silver Spring, MD, USA: 2022. [Google Scholar]
Molecular tswvyim kawm series. Synergix Ltd; Singapore: 2012. [Google Scholar]
Young D.C., editor. Computational drug design. John Wiley and Sons; Hoboken, NJ, USA: 2009. Substances that form good molecules; s. 9-39. [Google Scholar]
Rowland M., Tozer T.N., editors. Clinical Pharmacokinetics and Pharmacodynamics. Fourth edition. Lippincott Williams Wilkins; Baltimore, MD, USA: 2011. Key words and abstract; s. 17-45. [Google Scholar]
Sinha S., Warhola D., editors. Pharmaceutical Medicine and Translational Clinical Research. Elsevier; Amsterdam, Netherlands: 2018. Drug discovery and development: overview. [Google Scholar] 6. Hughes J.P., Rees S., Kalindjian S.B., Philpott K.L. Principles of early drug discovery. Br. J. Pharmacol. 2011;162:1239–1249. Doi: 10.1111/j.1476-5381.2010.01127.x. [PMC free article] [PubMed] [CrossRef] [Google Scholar]
Facts set the Fundamentals. FactSet Research Systems, Inc.; Connecticut, USA: 2021. [Google Scholar]
DiMasi JA, Grabowski HG, Hansen RW. Innovation in the pharmaceutical industry: New estimates of R&D costs. J. Health. 2016; 47:20-33. [PubMed] [Google Scholar]
McGrail S. Key differences between small molecule, biologic drug development. Pharma News Intelligence. Aug 20, 2021. [(accessed on 20 February 2022)]. Available online: https://pharmanewsintel.com/news/key-differences-in-small-molecule-biologics-drug-development
Doytchinova I., Atanasova M., Valkova I., Stavrakov G., Philipova I., Zhivkova Z., Zheleva-Dimitrova D., Konstantinov S., Dimitrov I. Novel hits for acetylcholinesterase inhibition derived by docking-based screening on ZINC database. J. Enzym. Inhib. Med. Chem. 2018;33:768–776. Doi: 10.1080/14756366.2018.1458031. [PMC free article] [PubMed] [CrossRef] [Google Scholar]
Prentis R.A., Lis Y., Walker S.R. Pharmaceutical innovations in seven British pharmaceutical companies (1964-1985) J. Crean. Pharmacist. 1988; 25:387-396. Doi:10.1111/j.1365-2125.1988.tb03318.x. [PMC free article] [PubMed] [CrossRef] [Google Scholar]
I am T.A. The role of chance in drug discovery. Clinical Dialogue. Neuroscience. 2006; 8:335–344. [PMC free article] [PubMed] [Google Scholar]
Cheng M. Hartmann Stahelin (1925-2011) and the controversial history of Cyclosporine A. Clin. Changes. 2013; 27:326–329. Doi: 10.1111/ctr.12072. [PubMed] [Crossref] [Google Scholar]
Guo Z. Adaptation of natural products for medical use. Journal of Pharmaceutical Sciences. Crime. B.2017; 7:119–136. Doi: 10.1016/j.apsb.2016.06.003. [PMC free article] [PubMed] [CrossRef] [Google Scholar]
Montinari MR., Minelli S., De Caterina R. The first 3500 years of history of aspirin – a brief summary. Blood vessels. Pharmacist. 2019; 113:1–8. Doi: 10.1016/j.vph.2018.10.008. [PubMed] [Cross reference] [Google Scholar]
Roberts C.J. Klinik farmakokinetik ntawm ranitidin. Ha mafya. Farmakokinetik. 1984; 9:211-221. PIB: 10.2165/00003088-198409030-00003. [PubMed] [Crossref] [Google Scholar]
Meier J. Comparison of the pharmacokinetics of pindolol and other beta-adrenoceptor blockers. Yes. Heart J. 1982; 104: 364-373. PIB: 10.1016/0002-8703(82)90127-2. [PubMed] [Crossref] [Google Scholar]
Schuychter UK. Virtual screening of drug libraries. Nature. 2004; 432: 862–865. Doi: 10.1038/nature03197. [PMC tsab xov xwm pub dawb] [PubMed] [CrossRef] [Google Akademik]
Butkiewicz M., Wang Y., Bryant S.H., Lowe E.W., Jr., Weaver DC, Meiler J. PubChem deposundan yüksek verimli tarama analizi veri seti. Medicine. Don’t notice. In 2017; 3: 1. PIB: 10.21767/2470-6973.100022. [PMC free article] [PubMed] [CrossRef] [Google Scholar]
Smith A. Drug discovery reviews: key issues. Nature. 2002; 418:453–455. Doi: 10.1038/418453a. [PubMed] [Crossref] [Google Scholar]
Bentley R. Differences in discovery; Prontosil (hence sulfa) and penicillin (hence beta-lactam) J. Ind. Microbiol. Biotechnology. 2009; 36:775–786. DOI: 10.1007/s10295-009-0553-8. [PubMed] [Cross reference] [Google Scholar]
Wold S., Gelada P., Esbensen K., Öhman J. Multiway principal components and PLS-analysis. J. Chemometr. 1987;1:41–56. doi: 10.1002/cem.1180010107. [CrossRef] [Google Scholar]
Mitchell J.B. Machine learning methods in chemoinformatics. Wiley Interdiscip. Rev. Comput. Mol. Sci. 2014;4:468–481. doi: 10.1002/wcms.1183. [PMC free article] [PubMed] [CrossRef] [Google Scholar]
Hessler G., Baringhaus K.-H. Artificial Intelligence in Drug Design. Molecular. Year 2018; 23:2520. Doi: 10.3390/molecules 23102520. [PMC free article] [PubMed] [CrossRef] [Google Scholar]
Schneider P., Walters W.P., Plowright A.T., Sieroka N., Listgarten J., Goodnow R.A., Jr., Fisher J., Jansen J.M., Duca J.S., Rush T.S., et al. Rethinking drug design in the age of artificial intelligence. Nat. Rev. Drug Discovery. 2020; 19:353–364. Doi: 10.1038/s41573-019-0050-3. [PubMed] [Crossref] [Google Scholar]
Paul D., Sanap G., Shenoy S., Kalyane D., Kalia K., Tekade R.K. Artificial intelligence in drug discovery and development. Chemical discovery. Today. 2021; 26:80–93. Doi: 10.1016/j.drudis.2020.10.010. [PMC free article] [PubMed] [CrossRef] [Google Scholar
Downloads
Published
Issue
Section
License
Declaration and Copyright Transfer Form
(to be completed by authors)
I/ We, the undersigned author(s) of the submitted manuscript, hereby declare, that the above manuscript which is submitted for publication in the STM Journals(s), is not published already in part or whole (except in the form of abstract) in any journal or magazine for private or public circulation, and, is not under consideration of publication elsewhere.
- I/We will not withdraw the manuscript after 1 week of submission as I have read the Author Guidelines and will adhere to the guidelines.
- I/We Author(s ) have niether given nor will give this manuscript elsewhere for publishing after submitting in STM Journal(s).
- I/ We have read the original version of the manuscript and am/ are responsible for the thought contents embodied in it. The work dealt in the manuscript is my/ our own, and my/ our individual contribution to this work is significant enough to qualify for authorship.
- I/We also agree to the authorship of the article in the following order:
Author’s name
1. ________________
2. ________________
3. ________________
4. ________________
| We Author(s) tick this box and would request you to consider it as our signature as we agree to the terms of this Copyright Notice, which will apply to this submission if and when it is published by this journal. |