Computational study on novel natural compound inhibitor targeting IDH1_R132H.
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ABSTRACT:
SUBMITTER: Zhou B
PROVIDER: S-EPMC9320544 | biostudies-literature | 2022 Jul
REPOSITORIES: biostudies-literature
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Computational study on novel natural compound inhibitor targeting IDH1_R132H.
Zhou Baolin B Yang Fang F Qin Lei L Kuai Jun J Yang Lu L Zhang Lanfang L Sun Peisheng P Li Guangpeng G Wang Xinhui X
Aging 20220707 13
Isocitrate dehydrogenases (IDH) catalyze the oxidative decarboxylation of isocitrate to 2-oxoglutarate. IDH1 mutation has been reported in various tumors especially Cholangiocarcinoma, while the IDH1_R132H is reported to be the most common mutation of IDH1. IDH1_R132H inhibitors are effective anti-cancer drugs and have shown significant therapeutic effects in clinical. In this study, two novel natural compounds were identified to combine respectively with IDH1_R132H with a stronger binding force ...[more]
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