SYNERGY OF TRADITIONAL AND MODERN APPROACHES TO THE SEARCH AND STUDY OF PROMISING NATURAL-ORIGIN DRUG CANDIDATES (HISTORY, CHALLENGES, SOLUTIONS)

Until the beginning of the 21st century researchers spent decades searching for new natural sources of medicines using so-called 'traditional classical' chemical, physical-chemical, in vitro and in vivo methods. The use of this method has allowed the discovery of numerous plants that have become a source of valuable medicinal preparations. However, all of them require significant financial and time investments. Therefore, scientists faced the challenge of rationalizing the process of searching for promising candidates, reducing the time and financial costs of preclinical and clinical research phases, and increasing the efficiency of the final outcome. Increasingly popular modern method of searching for prospective plant-origin drug candidates is in silico, using on-line services and platforms, each of which individually has disadvantages. The most effective is the integration of several service databases. This allow researchers to identify possible directions for studying the combined effects of isolated substances, thereby reducing the volume of necessary experimental studies in vitro and in vivo. The combination of traditional methods of isolation and structure determination with modern in silico methods for determining biological activity is confirmed by literature data and our research, in which the combination identified species that are promising for further study.

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Publication Details

Journal
chemistry of plant raw material
Published
2025-02-19
DOI
https://doi.org/10.14258/jcprm.20250114852
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
0.00

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article

SYNERGY OF TRADITIONAL AND MODERN APPROACHES TO THE SEARCH AND STUDY OF PROMISING NATURAL-ORIGIN DRUG CANDIDATES (HISTORY, CHALLENGES, SOLUTIONS)

N. E. Kolomiets, Yaroslav Reshetov, A. K. Whaley, Roman Sergeevich Boev et al.
chemistry of plant raw material
Computational Drug Discovery Methods
article

SYNERGY OF TRADITIONAL AND MODERN APPROACHES TO THE SEARCH AND STUDY OF PROMISING NATURAL-ORIGIN DRUG CANDIDATES (HISTORY, CHALLENGES, SOLUTIONS)

N. E. Kolomiets, Yaroslav Reshetov, A. K. Whaley, Roman Sergeevich Boev, В. Г. Лужанин, М. В. Белоусов, Anastasiia O. Whaley
article en

Abstract

Until the beginning of the 21st century researchers spent decades searching for new natural sources of medicines using so-called 'traditional classical' chemical, physical-chemical, in vitro and in vivo methods. The use of this method has allowed the discovery of numerous plants that have become a source of valuable medicinal preparations. However, all of them require significant financial and time investments. Therefore, scientists faced the challenge of rationalizing the process of searching for promising candidates, reducing the time and financial costs of preclinical and clinical research phases, and increasing the efficiency of the final outcome. Increasingly popular modern method of searching for prospective plant-origin drug candidates is in silico, using on-line services and platforms, each of which individually has disadvantages. The most effective is the integration of several service databases. This allow researchers to identify possible directions for studying the combined effects of isolated substances, thereby reducing the volume of necessary experimental studies in vitro and in vivo. The combination of traditional methods of isolation and structure determination with modern in silico methods for determining biological activity is confirmed by literature data and our research, in which the combination identified species that are promising for further study.

chemistry of plant raw material(1)
Institute of Evolutionary Physiology and Biochemistry (RU), National Research Tomsk State University (RU), Siberian State Medical University (RU), Tomsk Polytechnic University (RU), Kemerovo State Medical University (RU), Visterra (United States) (US), Perm State Pharmaceutical Academy (RU)
Tomsk Polytechnic University, Russian Academy of Sciences
Openalex Percentile: Top 92%
Computational Drug Discovery Methods
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