Articolul precedent |
Articolul urmator |
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Ultima descărcare din IBN: 2024-05-04 07:51 |
Căutarea după subiecte similare conform CZU |
544.142.3:547.497 (3) |
Structura chimică a materiei (98) |
Chimie organică (486) |
SM ISO690:2012 CIURSIN, Andrei, RUSNAC, Roman, GULYA, Aurelian. Molecular docking of new thiosemicarbazones in the base 2-oxo-6-phenylhexa-3,5-dienoic acid. In: Natural sciences in the dialogue of generations, 14-15 septembrie 2023, Chişinău. Chişinău: Centrul Editorial-Poligrafic al USM, 2023, p. 204. ISBN 978-9975-3430-9-1. |
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Natural sciences in the dialogue of generations 2023 | |||||||
Conferința "Natural sciences in the dialogue of generations" Chişinău, Moldova, 14-15 septembrie 2023 | |||||||
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CZU: 544.142.3:547.497 | |||||||
Pag. 204-204 | |||||||
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The major biological potential that thiosemicarbazones possess is due to the target centers in their structure, showing antimicrobial, antitumor and antioxidative activities. Using PASS online, target proteins with which the synthesized thiosemicarbazone (HL) can interact were predicted. From the string obtained, Serine/threonine-protein kinase was chosen because it had the highest score (0.65). Optimization of the geometry of the thiosemicarbazone (HL) was done with "Avogadro". Molecular docking was performed with "AutoDock Vina" and visualized with CB-Dock2 (Figure).Figure. The structural formula of thiosemicarbazone HL and molecular docking The substance has a strong hydrogen bond with threonine. It is known that blocking threonine in the active site of the protein leads to its inactivation. This means that the synthesized substance has the potential to inactivate the Serine/threonine-protein kinase Sgk3, which is responsible for cell growth and proliferation. |
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Cuvinte-cheie Thiosemicarbazones, Molecular docking, 2-oxo-6-phenylhexa-3, 5-dienoic acid |
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