Inhibition effect of rhodanines containing benzene moieties on pentose phosphate pathway enzymes and molecular docking

dc.contributor.author	Karaman, M. and Temel, Y. and Bayindir, S.
dc.date.accessioned	2021-04-08T12:06:06Z
dc.date.available	2021-04-08T12:06:06Z
dc.date.issued	2020
dc.identifier	10.1016/j.molstruc.2020.128700
dc.identifier.issn	00222860
dc.identifier.uri	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85086745177&doi=10.1016%2fj.molstruc.2020.128700&partnerID=40&md5=d011a67d82633cea1083ca4a71289d72
dc.identifier.uri	http://acikerisim.bingol.edu.tr/handle/20.500.12898/3845
dc.description.abstract	Recently, inhibition studies of pentose phosphate pathway (PPP) enzymes have come out as an encouraging approach for pharmacological intervention in a variety of disorders. For this purpose, the rhodanines (Ph-Rhs) containing different benzene moiety were obtained via a green synthetic approach over a one pot reaction. We tested their inhibition effect on PPP enzymes glucose-6-phosphate dehydrogenase (G6PD) and 6-phosphogluconate dehydrogenase (6PGD). As a result of these studies, inhibition constant (Ki) of Ph-Rhs on PPP enzymes were found in the range of 6.57 ± 2.03 to 91.60 ± 9.25 μM for G6PD and 11.17 ± 3.01 to 64.51 ± 4.26 μM for 6PGD. Moreover, binding energies were calculated with docking studies as −5.234 and −5.071 kcal/mol for G6PD and 6PGD, respectively. © 2020
dc.language.iso	English
dc.source	Journal of Molecular Structure
dc.title	Inhibition effect of rhodanines containing benzene moieties on pentose phosphate pathway enzymes and molecular docking

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