In silico investigation of lavandulyl flavonoids for the development of potent fatty acid synthase-inhibitory prototypes

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• 作者：Joonseok Oh^a ; ^c ; ^d ; ^e ; Haining Liu^b ; ^c ; Hyun Bong Park^d ; ^e ; Daneel Ferreira^a ; ^c ; Gil-Saeng Jeong^f ; Mark T. Hamann^a ; ^c ; ^g ; Robert J. Doerksen^b ; ^c ; ^{rjd@olemiss.edu} ; MinKyun Na^h ; ^{mkna@cnu.ac.kr}
• 关键词：Sophora flavescens ; Fatty acid synthase ; Induced Fit docking ; DP4 chemical-shift analysis ; Per-residue analysis ; Lavandulyl flavonoids
• 刊名：Biochimica et Biophysica Acta (BBA) - General Subjects
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：1861
• 期：1
• 页码：3180-3188
• 全文大小：1077 K
• 卷排序：1861

文摘

FAS is a pertinent therapeutic target for the development of cancer agents. Lavandulyl flavanones exhibited powerful FAS inhibitory activity. The lavandulyl functional group contributed to enhancing their binding affinity. In silico design and optimization of flavonoid-based FAS inhibitors may be feasible.