Prediction of the spectrum of biological activity of triterpene saponins using in silico methods

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Abstract

Relevance. The main strategic task of the domestic pharmaceutical industry is to provide the population of our country with affordable, high-quality, safe and effective medicines. At the same time, of particular interest for modern pharmacy is the creation of herbal medicines with a multifunctional effect and a high degree of safety. Plants of the Fabaceae family, the practical value of which is due to the rich chemical composition of biologically active substances, can be promising sources for obtaining phytopreparations. The triterpene saponins of plants of the Fabaceae family, which have a wide spectrum of pharmacological action, deserve special attention.

The aim of the work was to study and predict the biological activity of triterpene saponins contained in plants of the Fabaceae family using in silico methods.

Material and methods. The objects of study were the structural formulas of triterpene saponins from plants of the Fabaceae family. Prediction of the biological activity of triterpene saponins was carried out using in silico methods posted on the domestic web resource Way2Drug.

Results. As a result of in silico studies, triterpene saponins demonstrated a high probability of hepatoprotective, proto-tumor, and anti-inflammatory effects. Along with this, at the level of the average value and below for the studied saponins, antibacterial effects were revealed.

Conclusions. The data obtained on the basis of computer screening confirm, clarify and expand the available scientific information on the pharmacological effects of triterpene saponins from plants of the Fabaceae family. The prospects of carrying out further studies in vitro and in vivo with the aim of clarifying and/or confirming the types of activity of biologically active substances from the group of saponins identified in silico and the subsequent development of drugs based on them have been demonstrated.

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About the authors

N. A. Davitavyan

Kuban State Medical University

Author for correspondence.
Email: farmdep@mail.ru

Ph.D. (Pharm.), Associate Professor, Department of Pharmacy

Russian Federation, Krasnodar

E. B. Nikiforova

Kuban State Medical University

Email: farmdep@mail.ru

Ph.D. (Pharm.), Associate Professor, Acting Head of the Department of Pharmacy

Russian Federation, Krasnodar

B. K. Shkhalakhova

Kuban State Medical University

Email: farmdep@mail.ru

Student, Faculty of Pharmacy

Russian Federation, Krasnodar

D. A. Ismagilova

Kuban State Medical University

Email: farmdep@mail.ru

Assistant, Department of Pharmacy

Russian Federation, Krasnodar

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