Creation of innovative drugs (approaches and methodology of drug design) – one of the main issues of the modern pharmaceutical education

Authors

  • A. P. Kryshchyshyn Lviv National Medical University named after Danylo Halytsky, Ukraine
  • D. V. Kaminskyy Lviv National Medical University named after Danylo Halytsky, Ukraine
  • R. B. Lesyk Lviv National Medical University named after Danylo Halytsky, Ukraine

DOI:

https://doi.org/10.24959/ophcj.15.833

Keywords:

drug design, medicinal chemistry, computer technology, education

Abstract

 The article is devoted to modern approaches to the creation of innovative drugs based on the so-called small molecules combined into the research system – drug design. The most common concepts and phasing of the processes of the innovative drug creation based on the concept “from idea – to a drug” are presented. The importance and role of the computer (in silico) methods in creating drugs reflected in CADD (computer assisted drug design) methods, for instance: QSAR-analysis, docking studies, molecular modeling, assessment of similarity and druglikeness, etc.) are discussed. Currently, being the permanent subject of interest of the scientific community, the approaches described are dominant in creating innovative drugs. Most of the major issues are integrated in training of pharmacy students (PharmD and MS levels in Western countries) within the discipline “Medicinal Chemistry” and are described in authoritative textbooks. At the same time, practically no attention is paid to these issues in Ukraine, and they are beyond the curricula for pharmacy students. There is the necessity of coverage of the current state of drug creation when training pharmacy students taking into account the principle of integrity of the pharmacy branch and based on the “from idea – to a drug” holistic concept mentioned. It allows to fill in the gaps between “western” and post-Soviet education systems (and/or their harmonization), especially in the context of teaching Pharmaceutical/Medicinal Chemistry. One of the possible solutions is our course “Computer Technology in Pharmacy” (for the 4th year students) covering the main milestones of drug design.

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References

  1. Cain J., Romanelli F. Current Pharmacy Teaching and Learning, 2009, Vol. 1(2), pp.66-70. doi: 10.1016/j.cptl.2009.10.001.
  2. Rowland M., Noe C. R., Smith D. A., Tucker G. T., Crommelin D. J., Peck C. C., Rocci M. L. Jr., Besançon L., Shah V. P. Journal of Pharmaceutical Science, 2012, Vol. 101, No.11, pp.4075-4099. doi: 10.1002/jps.23295.
  3. Kinch M. S., Haynesworth A., Kinch S. L., Hoyer D. Drug Discovery Today, 2014, Vol. 19, No.8, pp.1033-1039. doi:10.1016/j.drudis.2014.03.018.
  4. Patrick G. L. An introduction to medicinal chemistry. 5th ed. – New York: Oxford University Press, 2013, 816 p. ISBN: 9780199697397.
  5. Khan M. O., Deimling M. J., Philip A. American Journal of Pharmaceutical Education, 2011, Vol. 75, No.8, art.161. doi:10.5688/ajpe758161.
  6. Abraham D. J. Burger’s medicinal chemistry and drug discovery, Vol. 1, Drug discovery. 6th ed. – New Jersey: Wiley, 2003, 932 p. ISBN: 0471270903.
  7. Abraham D. J. Burger’s medicinal chemistry and drug discovery, Vol. 2, Drug discovery and drug development. 6th ed. – New Jersey: Wiley, 2003, 808 p. ISBN: 047370282.
  8. Richon A. B. A. Scrolling history of computational chemistry. http://www.netsci.org/Science/Compchem/feature17b.html.
  9. Camille G. W. Journal of Medicinal Chemistry, 2004, Vol. 47, No.6, pp.1303-1314. doi:10.1021/jm030480f.
  10. Kaminskyy D., Bednarczyk-Cwynar B., Vasylenko O., Kazakova O., Zimenkovsky B., Zaprutko L., Lesyk R. Medicinal Chemistry Research, 2012, Vol. 21, No.11, pp.3568-3580. doi:10.1007/s00044-011-9893-9.
  11. Fortin S., Bérubé G. Expert Opinion on Drug Discovery, 2013, Vol. 8, No.8, pp.1029-1047. doi:10.1517/17460441.2013.798296.
  12. Meunier B. Accounts of chemical research, 2007, Vol. 41, No.1, pp.69-77. doi:10.1021/ar7000843.
  13. De-Simone R. W., Currie K. S., Mitchell S. A., Darrow J. W., Pippin D. A. Combinatorial Chemistry & High Throughput Screening, 2004, Vol. 7, No.5, pp.473-493. doi:10.2174/1386207043328544.
  14. Lesyk R. B., Zimenkovsky B. S., Kaminskyy D. V., Kryshchyshyn A. P., Havryluk D. Y., Atamanyuk D. V., Khyluk D. V. Biopolymers and Cell, 2011, Vol. 27, No.2, pp.107-117. doi:10.7124/bc.000089.
  15. Rautio J., Kumpulainen H., Heimbach T., Oliyai R., Oh D., Järvinen T., Savolainen J. Nature Reviews Drug Discovery, 2008, Vol. 7, No.3, pp.255-270. doi: 10.1038/nrd2468.
  16. Ettmayer P., Amidon G. L., Clement B., Testa B. Journal of Medicinal Chemistry, 2004, Vol. 47, No.10, pp.2393-2404. doi:10.1021/jm0303812.
  17. Nicholas B., Buchwald P. Medicinal Research Reviews, 2000, Vol. 20, No.1, pp.58-101. doi: 0.1002/(SICI)1098-1128(200001)20:13.0.CO;2-X.
  18. Contreras J-M., Bourguignon J-J. In The Practice of Medicinal Chemistry. 2nd ed., ed. C. G. Wermuth. – London: Academic press, 2003, pp.251-273. doi: 10.1016/B978-012744481-9/50020-9.
  19. Bolger R. Drug Discovery Today, 1999, Vol. 4, No.6, pp.251-253. doi:10.1016/S1359-6446(99)01356-2.
  20. Juan A., Shoichet B. Eds. Virtual screening in drug discovery. – Boca Raton: CRC press, 2005, 496 p. ISBN 9781420028775.
  21. Fenniri H. Ed. Combinatorial chemistry a practical approach – New York: Oxford University Press, 2000, 516 p. ISBN 9780199637546.
  22. Lehn J. M. Chemistry-A European Journal, 1991, Vol. 5, No.9, pp.2455-2463. doi:10.1002/(SICI)1521-3765(19990903)5:93.0.CO;2-H.
  23. Ghose A. K., Viswanadhan V. N., Wendoloski J. J. Journal of Сombinatorial Сhemistry, 1991, Vol. 1, No.1, pp.55-68.doi:10.1021/cc9800071.
  24. Janzen W. P., Bernasconi P. Eds. High throughput screening: methods and protocols (Methods in molecular biology, Vol. 190). – Totowa, New Jersey: Humana Press Inc, 2002, 265 p. ISBN: 9780896038899. doi:10.1385/1592591809.
  25. Tetko I. V. Mini Reviews in Medicinal Chemistry, 2003, Vol. 3, No.8, pp.809-820. doi:10.2174/1389557033487638.
  26. Sams-Dodd F. Drug Discovery Today, 2005, Vol. 10, No.2, pp.139-147. doi:10.1016/S1359-6446(04)03316-1.
  27. Shoichet B. K. Nature, 2004, Vol. 432(7019), pp.862-865. doi:10.1038/nature03197.
  28. Walters W. P., Stahl M. T., Murcko M. A. Drug Discovery Today, 1998, Vol. 3, No.4, pp.160-178. doi:10.1016/S1359-6446(97)01163-X.
  29. Walters W. P., Namchuk M. Nature Reviews Drug Discovery, 2003, Vol. 2, No.4, pp.259-266. doi:10.1038/nrd1063.
  30. Filimonov D. A., Lagunin A. A., Gloriozova T. A., Rudik A. V., Druzhilovskii D. S., Pogodin P. V., Poroikov V. V. Chemistry of Heterocyclic Compounds, 2004,Vol. 50 No.3, pp.1-14. doi:10.1007/s10593-014-1496-1.
  31. Kitchen D. B., Decornez H., Furr J. R., Bajorath J. Nature Reviews Drug discovery, 2004, Vol. 3, No.11, pp.935-949. doi:10.1038/nrd1549.
  32. Lyne P. D. Drug Discovery Today, 2002, Vol. 7(20), pp.1047-1055. doi:10.1016/S1359-6446(02)02483-2.
  33. Puzyn T., Leszczynski J., Cronin M. T. Eds. Recent advances in QSAR studies. Methods and applications. Challenges and Advances in Computational Chemistry and Physics, 2010, Vol. 8, 432 p. doi:10.1007/978-1-4020-9783-6.
  34. Kubinyi H. Drug Discovery Today, 1997, Vol. 2(11), pp.457-467. doi:10.1016/S1359-6446(97)01079-9.
  35. Lipinski C. A., Lombardo F., Dominy B. W., Feeney P. J. Advanced Drug Delivery Reviews, 2012. Vol. 64, pp.4-17. doi:10.1016/j.addr.2012.09.019.
  36. Lipinski C. A. Drug Discovery Today: Technologies, 2004, Vol. 1(4), pp.337-341. doi:10.1016/j.ddtec.2004.11.007.
  37. Borchardt R., Kerns E., Hageman M., Thakker D., Stevens J. Eds. Optimizing the “drug-like” Properties of Leads in Drug Discovery, Vol. 4. – New York: Springer, 2007, 511 p. ISBN: 978-0-387-34056-2. doi:10.1007/978-0-387-44961-6.
  38. Veber D. F., Johnson S. R., Cheng H. Y., Smith B. R., Ward K. W., Kopple K. D. Journal of Medicinal Chemistry, 2002, Vol. 45, No.12, pp.2615-2623. doi:10.1021/jm020017n.
  39. Hughes J. D., Blagg J., Price D. A., Bailey S., DeCrescenzo G. A., Devraj R. V., Zhang Y. Bioorganic & Medicinal Chemistry Letters, 2008, Vol. 18, No.17, pp.4872-4875. doi:10.1016/j.bmcl.2008.07.071.
  40. Lovering F., Bikker J., Humblet C. Journal of Medicinal chemistry, 2009, Vol. 52(21), pp.6752-6756. doi:10.1021/jm901241e.
  41. Hajduk P. J., Greer J. Nature Reviews Drug Discovery, 2007, Vol. 6(3), pp.211-219. doi 10.1038/nrd2220.
  42. Kubinyi H. In search for new leads. In: EFMC – Yearbook 2003. 2004: pp.14-28. (Also published in Rossiiskii Khimicheskii Zhurnal (Rus. Chem. J.). 2006; Vol. 50(2), pp.5-17. (in Russian).
  43. Beale J. M., Block J. H. Jr. Eds. Wilson and Gisvold’s Textbook of Organic Medicinal and Pharmaceutical chemistry. 12th ed. –New York: Lippincott Williams & Wilkins, a Wolters Kluwer business, 2011, 1010 p. ISBN 978-0-7817-7929-6.
  44. Lesyk R. B., Gromovyk B. P., Atamanyuk D. V., Subtel’na I. Yu., Soronovych I. I. Farmaceutychnyj Zhurnal – Pharmaceutical Journal, 2002, No.2, pp.33-39. (In Ukrainian).
  45. Zimenkovsky B. S., Kryshchyshyn A. P., Kaminskyy D. V., Lesyk R. B. Abstract book of Ukrainian conference “New Level of the Credit and Module System of the educational processes organization in the Medical(Pharmaceutical) Universities” 18-19 April 2013, Ternopil, pp.305. (In Ukrainian).
  46. Zimenkovsky B. S., Lesyk R. B., Kaminskyy D. V., Kryshchyshyn A. P., Atamanyuk V. V. Computer technology in pharmacy. Tutorials for 4th course students. – Lviv: LNMU, 2013, 66p. (In Ukrainian).
  47. Kovalenko S. I., Lesyk R. B., Belienichev I. F. Medychna Osvita – Medical education, 2004, No.4, pp.27-30. (In Ukrainian). http://217.196.164.19/data/ kafedra/journals/education/2004_2/all.pdf#page=27.
  48. Lesyk R. B., Muzychenko V. P., Kazmirchuk H. V., Sementsiv H. M., Yaroshchuk S. M., Gnidets V. I. Medychna Osvita – Medical education, 2004, No.4, pp.24-26. (In Ukrainian). http://217.196.164.19/data/kafedra/journals/education/2004_2/all.pdf#page=24.

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Published

2015-03-12

How to Cite

(1)
Kryshchyshyn, A. P.; Kaminskyy, D. V.; Lesyk, R. B. Creation of Innovative Drugs (approaches and Methodology of Drug Design) – One of the Main Issues of the Modern Pharmaceutical Education. J. Org. Pharm. Chem. 2015, 13, 49-58.

Issue

Vol. 13 No. 1(49) (2015)

Section

Original Researches

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