Unknown

Dataset Information

0

Design, Synthesis and Bioactive Evaluation of Oxime Derivatives of Dehydrocholic Acid as Anti-Hepatitis B Virus Agents.


ABSTRACT: Oxime derivatives of dehydrocholic acid and its esters were designed for anti-hepatitis B virus (HBV) drugs according to principles of assembling active chemical fragments. Twelve compounds were synthesized from dehydrocholic acid by esterification and oxime formation, and their anti-hepatitis B virus (HBV) activities were evaluated with HepG 2.2.15 cells. Results showed that 5 compounds exhibited more effective inhibition of HBeAg than positive control, among them 2b-3 and 2b-1 showed significant anti-HBV activities on inhibiting secretion of HBeAg (IC50 (2b-3) = 49.39 ± 12.78 ?M, SI (2b-3) = 11.03; IC50 (2b-1) = 96.64 ± 28.99 ?M, SI (2b-1) = 10.35) compared to the Entecavir (IC50 = 161.24 ?M, SI = 3.72). Molecular docking studies showed that most of these compounds interacted with protein residues of heparan sulfate proteoglycan (HSPG) in host hepatocyte and bile acid receptor.

SUBMITTER: Wei Z 

PROVIDER: S-EPMC7435646 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature

altmetric image

Publications

Design, Synthesis and Bioactive Evaluation of Oxime Derivatives of Dehydrocholic Acid as Anti-Hepatitis B Virus Agents.

Wei Zhuocai Z   Tan Jie J   Cui Xinhua X   Zhou Min M   Huang Yunhou Y   Zang Ning N   Chen Zhaoni Z   Wei Wanxing W  

Molecules (Basel, Switzerland) 20200724 15


Oxime derivatives of dehydrocholic acid and its esters were designed for anti-hepatitis B virus (HBV) drugs according to principles of assembling active chemical fragments. Twelve compounds were synthesized from dehydrocholic acid by esterification and oxime formation, and their anti-hepatitis B virus (HBV) activities were evaluated with HepG 2.2.15 cells. Results showed that 5 compounds exhibited more effective inhibition of HBeAg than positive control, among them <b>2b-3</b> and <b>2b-1</b> sh  ...[more]

Similar Datasets

| S-EPMC7871991 | biostudies-literature
| S-EPMC7730549 | biostudies-literature
| S-EPMC6152180 | biostudies-literature
| S-EPMC7497412 | biostudies-literature
| S-EPMC5822041 | biostudies-literature
| S-EPMC2736638 | biostudies-literature
| S-EPMC6891324 | biostudies-literature
| S-EPMC6482410 | biostudies-literature
| S-EPMC8759731 | biostudies-literature
| S-EPMC9917773 | biostudies-literature