[The chemoreactomic analysis of the central mechanisms of action of non-steroidal anti-inflammatory drugs].

Autor:	Gromova OA; Federal Research Center 'Informatics and management' of the Russian Academy of Sciences, Moscow, Russia; Center of Big Data Storage and Analysis of Lomonosov Moscow State University, Moscow, Russia., Torshin IY; Federal Research Center 'Informatics and management' of the Russian Academy of Sciences, Moscow, Russia; Center of Big Data Storage and Analysis of Lomonosov Moscow State University, Moscow, Russia., Putilina MV; Pirogov Russian National Research Medical University, Moscow, Russia., Stakhovskaia LV; Pirogov Russian National Research Medical University, Moscow, Russia., Rudakov KV; Federal Research Center 'Informatics and management' of the Russian Academy of Sciences, Moscow, Russia; Center of Big Data Storage and Analysis of Lomonosov Moscow State University, Moscow, Russia.
Jazyk:	ruština
Zdroj:	Zhurnal nevrologii i psikhiatrii imeni S.S. Korsakova [Zh Nevrol Psikhiatr Im S S Korsakova] 2020; Vol. 120 (1), pp. 70-77.
DOI:	10.17116/jnevro202012001170
Abstrakt:	Aim: To perform a chemoreactome modeling of the pharmacological central effects of 4 non-steroidal anti-inflammatory drugs (NSAIDs): dexketoprofen, ketoprofen, aceclofenac, lornoxicam. Material and Methods: An analysis of the pharmacological spectrum of the central action of dexketoprofen, ketoprofen, aceclofenac and lornoxicam was based on the chemoinformatic approach, which compared drug-likeness properties with public and commercial software. Results: The effectiveness of NSAIDs is related to the inhibition of cannabinoid receptors CB-1, the vanilloid receptor TRPV1, NMDA and AMPA receptors and of the GABA reuptake transporter, with dexketoprofen being the most effective inhibitor. The safety of the central effects of NSAID is due to weak interactions of the NSAIDs studied with opioid, adrenergic, serotonin and dopamine receptors. Chemoreactome modeling made it possible to compare the particulars of the effects of the studied NSAIDs on experimental pain and cramps. Conclusion: Inhibition of CB-1, TRPV1, NMDA, AMPA, GABA transporter by the NSAID molecules corresponds to a decrease in the intensity of nociceptive signals. A weak intervention of the studied NSAIDs in opioid, adrenergic, serotonin and dopaminergic neurotransmission corresponds to a decrease in the central side-effects of NSAIDs and to a lessened antagonism of these NSAIDs towards exogenous and endogenous opioids.
Databáze:	MEDLINE
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