Molecular modeling and development of dosage forms based on gliclazide and biologically active substances of plant origin
- Authors: Asomuddin G.1, Storozhenko S.E.2, Stepanova E.F.3, Pogrebnyak L.V.3, Pogrebniak A.V.3
-
Affiliations:
- NOU "Medical College" of the district of M.S. Hamadoni
- FGBOU VO Krasnoyarsk State Medical University named after prof. V.F. Voyno–Yasenetsky, Ministry of Health of Russia
- Pyatigorsk Medical and Pharmaceutical Institute – branch of the Volgograd State Medical University of the Ministry of Health of the Russian Federation
- Issue: Vol 72, No 3 (2023)
- Pages: 35-40
- Section: Technology of medicines
- URL: https://journals.eco-vector.com/0367-3014/article/view/456402
- DOI: https://doi.org/10.29296/25419218-2023-03-06
- ID: 456402
Cite item
Open Access
Access granted
Abstract
Introduction. Diabetes mellitus is one of the most serious diseases of our time, with the most serious mortality rates. Despite the significant advances in pharmacy, the incidence statistics remain practically unchanged, while maintenance therapy is still the main tool.
Objective. Selection of low-toxic composite antidiabetic drugs by molecular modeling. The search should not be limited to individual remedies, as combinations are often more effective.
Material and methods. The calculation was carried out by the PM7 quantum-chemical method. The calculation of the descriptor "specific (by area) heat of hydration" made it possible to scale the heat of hydration and compare molecules of any size according to this criterion
Results. Theoretical and experimental studies have been carried out to find the original composition of synthetic and natural antidiabetic agents. A number of quantum-chemical calculations of the structures of active substances have been carried out and physico-chemical descriptors associated with biological action have been identified.
Conclusion. The optimal composition of the dosage form with the composite composition was developed, preliminary pharmacological tests were carried out, which showed positive results.
Full Text
About the authors
Giyoszoda Asomuddin
NOU "Medical College" of the district of M.S. Hamadoni
Author for correspondence.
Email: asom_giysov@mail.ru
ORCID iD: 0000-0002-7889-496X
Candidate of Sciences (Biology), Deputy Director for Science, Practice and Innovation of the Non-state educational institution “Medical College”, R.M.C.A. Hamadoni Khatlon region, Tajikistan
Tajikistan, Ismoili Somoni street, 27, Hamadoni district, 734026Sergey Evgenievich Storozhenko
FGBOU VO Krasnoyarsk State Medical University named after prof. V.F. Voyno–Yasenetsky, Ministry of Health of Russia
Email: s.e.storozhenko@yandex.ru
ORCID iD: 0000-0002-8058-9147
Senior Lecturer of the Department of Pharmacy with a Postgraduate Course, Krasnoyarsk State Medical University n.a. Prof. V.F. Voyno–Yasenetsky
Russian Federation, Prospekt Mira, 70, Krasnoyarsk, 660049Eleonora Fedorovna Stepanova
Pyatigorsk Medical and Pharmaceutical Institute – branch of the Volgograd State Medical University of the Ministry of Health of the Russian Federation
Email: e.f.stepanova@pmedpharm.ru
ORCID iD: 0000-0002-4082-3330
professor, Pyatigorsk Medical and Pharmaceutical Institute, Doctor of Pharmaceutical Sciences
Russian Federation, Kalinina Ave., 11, Pyatigorsk, 357534Lyudmila Vladimirovna Pogrebnyak
Pyatigorsk Medical and Pharmaceutical Institute – branch of the Volgograd State Medical University of the Ministry of Health of the Russian Federation
Email: pspa2010@yandex.ru
ORCID iD: 0000-0002-7846-0862
Associate Professor, Pyatigorsk Medical and Pharmaceutical Institute, Candidate of Pharmaceutical Sciences
Russian Federation, Kalinina Ave., 11, Pyatigorsk, 357534Andrei Vladimirovich Pogrebniak
Pyatigorsk Medical and Pharmaceutical Institute – branch of the Volgograd State Medical University of the Ministry of Health of the Russian Federation
Email: pspa2010@yandex.ru
ORCID iD: 0000-0001-9932-4205
professor, Pyatigorsk Medical and Pharmaceutical Institute, Doctor of Chemical Sciences
Russian Federation, Kalinina Ave., 11, Pyatigorsk, 357534References
- Jin-Peng Sun, Alexander A. Fedorov, Seung-Yub Lee, Xiao-Ling Guo, Kui Shen, David S. Lawrence, Steven C. Almo, Zhong-Yin Zhang. Crystal Structure of PTP1B Complexed with a Potent and Selective Bidentate Inhibitor. Journal of Biological Chemistry. 2003; 278 (14): 12406–14. ISSN 0021-9258. doi: 10.1074/jbc.M212491200.
- Stewart J.J.P. Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters. J. Mol. Model. 2013; 19: 1–32. DOI: 10.1007/ s00894-012-1667-x.
- Klamt Andreas. COSMO-RS for aqueous solvation and interfaces, Fluid Phase Equilibria. 2016; 407: 152–8. DOI: 10.1016/ j.fluid.2015.05.027.
- Parr R.G., Szentpaly L.V., Liu S. Electrophilicity Index. J. Am. Chem. Soc. 1999; 121: 1922–4. https://doi.org/10.1021/ja983494x.
- Pogrebniak L., Pogrebniak A. Specific (by area) heat of hydration – a new molecular descriptor for evaluating component compatibility of dosage forms. Science in the modern information society XXVI. 2021; 119–21. ISBN: 9781257829309.
- Раевский О.А. Дескрипторы молекулярной структуры в компьютерном дизайне биологически активных веществ. Успехи химии. 1999; 68 (6): 555–76. eLIBRARY ID: 14949083 [Raevskij O.A. Molecular structure descriptors in computer design of biologically active substances. Uspekhi himii. 1999; 68 (6): 555–76. eLIBRARY ID: 14949083 (in Russian)]
- Naim Y., Sterchi E.E. Structure, biosynthesis, and glycosylation of human small intestinal maltase-glucoamylase. J. Biol. Chem. 263 (36): 19709–17. doi: 10.1016/S0021-9258(19)77693-5.
- Epstein B., Corkey E. et al. Diabetes Care. 2016; 39 (2): 179–86. doi: 10.2337/dc15-1585.
- Evert A.B., Boucher J.L., Cypress M., Dunbar S.A., Franz M.J., Mayer-Davis E.J., Neumiller J.J., Nwankwo R., Verdi C.L., Urbanski P., Yancy Jr. W. S. Nutrition therapy recommendations for the management of adults with diabetes. Diabetes Care. 2014; 37: 120–43. doi: 10.2337/dc14-S120.
- DeFronzo R.A. From the Triumvirate to the Ominous Octet: A New Paradigm for the Treatment of Type 2 Diabetes Mellitus. Diabetes. 2009; 58 (4): 773–95. doi: 10.2337/db09-9028.
Supplementary files
