2. Academic Validation
  3. Highly suppressing wild-type HIV-1 and Y181C mutant HIV-1 strains by 10-chloromethyl-11-demethyl-12-oxo-calanolide A with druggable profile

Highly suppressing wild-type HIV-1 and Y181C mutant HIV-1 strains by 10-chloromethyl-11-demethyl-12-oxo-calanolide A with druggable profile

  • J Med Chem. 2010 Feb 11;53(3):1397-401. doi: 10.1021/jm901653e.
Hai Xue 1,  Xiaofan Lu,  Purong Zheng,  Li Liu,  Chunyan Han,  Jinping Hu,  Zijie Liu,  Tao Ma,  Yan Li,  Lin Wang,  Zhiwei Chen,  Gang Liu
Affiliations

Affiliation

  • 1 Department of Synthetic Medicinal Chemistry, Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College, No. 2 Nan Wei Road, Beijing 100050, China.
PMID: 20050672 DOI: 10.1021/jm901653e
Abstract

We herein report a new compound: 10-chloromethyl-11-demethyl-12-oxo-calanolide A (20, EC(50) = 7.4 nM, SI = 1417), which demonstrates a druggable profile with 32.7% oral bioavailability in rat, tolerated oral single dose toxicity in mice, and especially the feature of highly efficient suppression of the wild-type HIV-1 and Y181C mutant HIV-1 at an EC(50) = 7.4 nM and EC(50) = 0.46 nM, respectively.

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