Application of information technology in optimization of combined metabolitotropic cardioprotection

¹ Zaporizhzhia State Medical and Pharmaceutical University, Zaporizhzhia, Ukraine
² Zaporizhzhia Stste Medical and Pharmaceutical University, Zaporizhzhia, Ukraine

Academic Editor: Humbert G. Díaz

Published: 23 December 2023 by MDPI in MOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed. congress CHEMBIO.INFO-09: Cheminfo., Chemom., Comput. Quantum Chem. & Bioinfo. Congress München, GR-Chapel Hill, USA, 2023.

Abstract:

Cardiovascular diseases are one of the most serious problems of modern medicine. Creation of combinations of metabolitotropic cardioprotectors selectively affecting individual target links of ischemic cascade of myocardial damage with the involvement of information technologies is a new promising approach. The aim of the study: to determine experimentally the approaches to the directed metabolic pharmacocorrection of ischemic myocardium and to develop the principles of combined prescription of metabolitotropic cardioprotectors on the basis of the created information technology of computer prediction. We have developed the basic theoretical concepts of a new scientific complex methodology with the involvement of information technologies for the selection and creation of drug combinations of metabolitotropic agents with improved pharmacological and toxicological properties for metabolitotropic cardioprotection. The obtained results were used in the development of an expert system for in silico substantiation of rational combinations of metabolitotropic drugs. The expert system was developed in the form of web application. The obtained data became theoretical and experimental substantiation for the creation of combined drugs based on L-arginine, glycine, tryptophan, L-lysine. The application of new information technology in the targeted development of rational combinations of metabolitotropic drugs will increase the efficiency of complex therapy of cardiovascular diseases of ischemic genesis.

Keywords: Cardiovascular diseases, pharmacocorrection, metabolitotropic drugs, information technology

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estefania Ascencio

30 December 2023

1. How was the expert system developed, and what role does it play in the research?

2. What experimental evidence supports the creation of drug combinations based on L-arginine, glycine, tryptophan, and L-lysine?

Olena Aliyeva

30 December 2023

1. The development of the expert system consisted of the following stages: problem statement (the problem and the approach to its solution are defined), development of the system prototype (the system prototype should confirm the possibility of solving practical problems of the subject area), evaluation of the system operation (conducted by users to identify the accuracy of the work), integration (the possibility of updating the system by obtaining data from external databases is developed, as well as user training), support (providing advice to users in the process of using the system). For the first time for in silico substantiation of rational compositions of intranasal dosage forms of cerebroprotective action is developed. The expert system in the form of web application of a computer program with a built-in database of experimental data and the possibility of updating via the Internet allows to predict also rational combinations of metabolitotropic agents with cardioprotective activity.
2. Experimental data confirming the creation of drug combinations based on L-arginine, glycine, tryptophan and L-lysine are published in our papers. We cite only some of them:
1.Metabolithotropic aspects of cardioprotective action of new combined medicine based on L-arginine and thiotriazolin in modeling of myocardial infarction / L. I. Kucherenko, I. F. Belenichev, I. A. Mazur, O. V. Khromylova // Asian Journal of Pharmaceutical and Clinical Research. - 2017. - Vol. 10, Iss. 10. -P. 158-161. - https://doi.org/10.22159/ajpcr.2017.v10i10.19895
3. Influence of the fixed combination of glycine with thiotriazoline on energy metabolism parameters in the brain in conditions of experimental cerebral ischemia / L. Kucherenko, I. Belenichev, I. Mazur [et al.] - 2018. - Vol. 42, Iss. 1. -P. 14-21. - https://doi.org/10.1501/Eczfak_0000000598
4. Popazova, O.; Belenichev, I.; Bukhtiyarova, N.; Ryzhenko, V.; Oksenych, V.; Kamyshnyi, A. Cardioprotective Activity of Pharmacological Agents Affecting NO Production and Bioavailability in the Early Postnatal Period after Intrauterine Hypoxia in Rats. Biomedicines 2023, 11, 2854. https://doi.org/10.3390/biomedicines11102854
5. Patent for invention 112513 / No a201604961 МПК (2016), А61К31/405 (2006.01) А61К 31/41 (2006.01) А61 Р 25/00 А61Р 25/28(2006.01). Ukraine. Combined drug product of anxiolytic, stress-protective, nootropic, antioxidant action / L.I. Kucherenko, S.O. Borsuk, I.F. Belenichev. - application for registration 04.05.2016; published 24.06.16 // Bulletin №12.

Bogdan Burlaka