prikaz prve stranice dokumenta Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study
  Preuzmi
PDF 1.9 MB
Znanstveni rad - Izvorni znanstveni rad
Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study
BioImpacts, 13 (2023), 5; 24180. https://doi.org/10.34172/bi.2023.24180
Novak, Jurica; Zykova, Alena R.; Potemkin, Vladimir A.; Sharutin, Vladimir V.; Sharutina, Olga K.

Citirajte ovaj rad

Novak, J., Zykova, A. R., Potemkin, V. A., Sharutin, V. V. i Sharutina, O. K. (2023). Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study. BioImpacts, 13. (5). doi: 10.34172/bi.2023.24180

Novak, Jurica, et al. "Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study." BioImpacts, vol. 13, br. 5, 2023. https://doi.org/10.34172/bi.2023.24180

Novak, Jurica, Alena R. Zykova, Vladimir A. Potemkin, Vladimir V. Sharutin i Olga K. Sharutina. "Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study." BioImpacts 13, br. 5 (2023). https://doi.org/10.34172/bi.2023.24180

Novak, J., et al. (2023) 'Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study', BioImpacts, 13(5). doi: 10.34172/bi.2023.24180

Novak J, Zykova AR, Potemkin VA, Sharutin VV, Sharutina OK. Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study. BioImpacts [Internet]. 2023. [pristupljeno 28.04.2024.];13(5). doi: 10.34172/bi.2023.24180

J. Novak, A. R. Zykova, V. A. Potemkin, V. V. Sharutin i O. K. Sharutina, "Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study", BioImpacts, vol. 13, br. 5, 2023. [Online]. Dostupno na: https://urn.nsk.hr/urn:nbn:hr:193:073539. [Citirano: 28.04.2024.]

Za citiranje koristite ovu mrežnu adresu: https://urn.nsk.hr/urn:nbn:hr:193:073539
Prijavite se u repozitorij kako biste mogli spremiti objekt u svoju listu.
Podaci o radu
Naslov (engleski)Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study
AutorJurica Novak
AutorAlena R. Zykova https://orcid.org/0000-0001-6333-5551
AutorVladimir A. Potemkin https://orcid.org/0000-0002-5244-8718
AutorVladimir V. Sharutin
AutorOlga K. Sharutina
Autorova ustanovaSveučilište u Rijeci
(Fakultet biotehnologije i razvoja lijekova)
Znanstveno / umjetničko
područje, polje i grana		PRIRODNE ZNANOSTI
Kemija
Teorijska kemija
Sažetak (engleski)
Introduction: Machine learning methods, coupled with a tremendous increase in computer power in recent years, are promising tools in modern drug design and drug repurposing. Methods: Machine learning predictive models, publicly available at chemosophia.com, were used to predict the bioactivity of recently synthesized platinum(IV) complexes against different kinds of diseases and medical conditions. Two novel QSAR models based on the BiS algorithm are developed and validated, capable to predict activities against the SARS-CoV virus and its RNA dependent RNA polymerase. Results: The internal predictive power of the QSAR models was tested by 10-fold cross-validation, giving cross-R2 from 0.863 to 0.903. 38 different activities, ranging from antioxidant, antibacterial, and antiviral activities, to potential anti-inflammatory, anti-arrhythmic and anti-malarial activity were predicted for a series of eighteen platinum(IV) complexes. Conclusion: Complexes 1, 3 and 13 have high generalized optimality criteria and are predicted as potential SARS-CoV RNA dependent RNA polymerase inhibitors.
Ključne riječi (engleski)
Jezikengleski
Vrsta publikacijeZnanstveni rad - Izvorni znanstveni rad
Status objaveObjavljen
Vrsta recenzijeRecenziran - međunarodna recenzija
Verzija publikacijeObjavljena verzija rada (izdavačev PDF)
Naslov časopisaBioImpacts
Brojčani podacivol. 13, br. 5, 24180
p-ISSN2228-5660
e-ISSN2228-5652
DOIhttps://doi.org/10.34172/bi.2023.24180
URN:NBNurn:nbn:hr:193:073539
Datum objave publikacije2023
URL dokumentahttps://bi.tbzmed.ac.ir/Inpress/bi-24180
Vrsta resursaTekst
Prava pristupaOtvoreni pristup
Uvjeti korištenjaIkona licence Zaštićeno autorskim pravom.
Datum i vrijeme pohrane2023-07-12 09:09:03