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The positive and negative effects of using transdermal nonsteroidal anti-inflammatory drugs: chemoreactome analysis

https://doi.org/10.14412/2074-2711-2020-5-123-129

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Abstract

Transdermal nonsteroidal anti-inflammatory drugs (NSAIDs) are actively used for mild and moderate pain syndrome, muscle contusions and sprains, sports injuries, and the widest range of musculoskeletal diseases. The transdermal administration of NSAIDs aims to create sufficiently high drug concentrations in the lesion focus, provided that the side effects associated with its systemic action are maximally reduced.

Objective: to comparatively simulate the effects of transdermal NSAIDs.

Material and methods. Chemoreactome profiling of six NSAIDs (meloxicam, diclofenac, ibuprofen, ketoprofen, nimesulide, and dexketoprofen) was performed. The pharmacological capabilities of molecules were analyzed within the framework of a chemoreactome methodology, by comparing the chemical structure of the studied molecule with those of millions of other molecules, the pharmacological properties of which had already been studied in experimental and clinical studies. Training the artificial intelligence algorithms based on the big data available in in the databases PubChem/PHARMGKB, HMDB, STRING, and others was done with multi-level training quality control in the cross validation framework according to the combinatorial theory of solvability and the theory of feature value classification.

Results and discussion. Meloxicam versus other NSAIDs accumulates primarily in the muscles and skin and, to a much lesser extent, in heart tissues, lymphocytes, gonads, and cartilage. This drug showed the greatest dose-dependent decongestant effect in the model of edema induced by croton oil. Analysis of the systemic effects of NSAIDs indicated that meloxicam might affect the metabolism of vitamins A, D, PP, and B6 to a lesser extent than other NSAIDs.

Conclusion. The chemoreactomе analysis has demonstrated that meloxicam as a gel causing minimal side effects can be used effectively and long.

About the Authors

I. Yu. Torshin
Institute of Pharmacoinformatics, Federal Research Center «Informatics and Management», Russian Academy of Sciences; Center for Big Data Storage and Analysis, National Center for Digital Economy, M.V. Lomonosov Moscow State University
Russian Federation

Torshin Ivan Yu., PhD in Applied Mathematics, leading researcher of the Department of Intellectual  Systems  FRCCSC RAS

44, Vavilov St., Build. 2, Moscow 119333,

1, Leninskie Gory, Moscow 119234

Scopus Author ID: 7003300274,

SPIN-код: 1375-1114,

AuthorID: 54104, 

WOS ID C-7683-2018



O. A. Gromova
Institute of Pharmacoinformatics, Federal Research Center «Informatics and Management», Russian Academy of Sciences; Center for Big Data Storage and Analysis, National Center for Digital Economy, M.V. Lomonosov Moscow State University
Russian Federation

Gromova Olga A., Professor, Doctor of Medical Sciences, Science Нead of the Institute of Pharmacoinformatics, leading researcher of the Department of Intellectual Systems FRCCSC RAS

44, Vavilov St., Build. 2, Moscow 119333,

1, Leninskie Gory, Moscow 119234

SPIN-код: 6317-9833,

AuthorID: 94901,

Scopus Author ID: 7003589812,

WOS ID J-4946-2017



T. R. Grishina
Ivanovo State Medical Academy, Ministry of Health of Russia
Russian Federation

Grishina Tatiana R., Нead of the Department of pharmacology

8, Sheremetevsky Prospect, Ivanovo 153012

AURHOR ID: 113019



V. A. Semenov
Kemerovo State Medical University, Ministry of Health of Russia
Russian Federation

Semenov Vladimir A., MD, Professor

22a, Voroshilov St., Kemerovo 650056



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For citation:


Torshin I.Yu., Gromova O.A., Grishina T.R., Semenov V.A. The positive and negative effects of using transdermal nonsteroidal anti-inflammatory drugs: chemoreactome analysis. Neurology, Neuropsychiatry, Psychosomatics. 2020;12(5):123-129. (In Russ.) https://doi.org/10.14412/2074-2711-2020-5-123-129

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