Version 1
: Received: 7 June 2024 / Approved: 10 June 2024 / Online: 11 June 2024 (11:07:27 CEST)
How to cite:
Belenichev, I.; Ryzhenko, V.; Popazova, O.; Bukhtiyarova, N.; Gorchakova, N.; Oksenych, V.; Kamyshnyi, O. Optimization Of The Search For Neuroprotectors Among Bioflavonoids. Preprints2024, 2024060678. https://doi.org/10.20944/preprints202406.0678.v1
Belenichev, I.; Ryzhenko, V.; Popazova, O.; Bukhtiyarova, N.; Gorchakova, N.; Oksenych, V.; Kamyshnyi, O. Optimization Of The Search For Neuroprotectors Among Bioflavonoids. Preprints 2024, 2024060678. https://doi.org/10.20944/preprints202406.0678.v1
Belenichev, I.; Ryzhenko, V.; Popazova, O.; Bukhtiyarova, N.; Gorchakova, N.; Oksenych, V.; Kamyshnyi, O. Optimization Of The Search For Neuroprotectors Among Bioflavonoids. Preprints2024, 2024060678. https://doi.org/10.20944/preprints202406.0678.v1
APA Style
Belenichev, I., Ryzhenko, V., Popazova, O., Bukhtiyarova, N., Gorchakova, N., Oksenych, V., & Kamyshnyi, O. (2024). Optimization Of The Search For Neuroprotectors Among Bioflavonoids. Preprints. https://doi.org/10.20944/preprints202406.0678.v1
Chicago/Turabian Style
Belenichev, I., Valentyn Oksenych and Oleksandr Kamyshnyi. 2024 "Optimization Of The Search For Neuroprotectors Among Bioflavonoids" Preprints. https://doi.org/10.20944/preprints202406.0678.v1
Abstract
For the first time to optimize the creation of new neuroprotective agents based on bioflavonoids, we applied information technologies - docking analysis to calculate the binding of candidate molecules to the pharmacological target protein transthyretin, as well as the program of virtual screening of NO scavengers. As a result of this approach, the substance catechin was isolated from candidate molecules - quercetin, catechin, Epicatechin gallate, Epicatechin, Procyanidin B1, Procyanidin B2, Procyanidin B3, Catechin-3-gallate according to docking analysis. As a result of virtual screening, catechin was identified as a potential NO scavenger (55.15% prediction). The results of the prediction were confirmed by in vitro experiments. Course administration of catechin to animals with experimental multiple sclerosis (MS) against the background of methylprednisolone administration completely eliminated lethal cases, reduced the number of diseased animals by 20%, as well as prevented the development of severe neurological symptoms by 20% (compared to the methylprednisolone group) and by 60% compared to the control group. Course administration of catechin with methylprednisolone leads to decrease of neurodegradation markers in the cytosol of rats with EAE: NSE by 37%, and S-100 - by 54.8%. The combined administration of methylprednisolone significantly exceeds the combination of methylprednisolone with the reference drug mexidol by the degree of NSE reduction. The obtained results indicate a significant neuroprotective effect of ocular combinations of methylprednisolone and catechin. The above-mentioned confirms the correctness of bioflavonoid selection with the help of virtual screening program.
Medicine and Pharmacology, Medicine and Pharmacology
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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