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Design, synthesis and molecular docking studies of sinomenine derivatives
Xiaoyun Chai1, Zhongjun Guan, Shichong Yu
1Department of Organic Chemistry, School of Pharmacy, Second Military Medical University, No. 325 Guohe Road, Shanghai 200433, China.
Abstract:
In order to search for drugs with excellent anti-inflammatory activities, a series of novel sinomenine derivatives were designed, synthesized, and evaluated for their inhibition activities against NF-κB activation induced by lipopolysaccharide (LPS). Compared with the natural parent sinomenine, compounds 2a-w showed higher activity, while compounds 1a-o showed similar activity against NF-κB. Moreover, a molecular model for the binding between compound 2v and the active site of p50 was provided on the basis of the computational docking results.
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