Design, Synthesis, and Biological Evaluation of Novel 4-Aminopiperidinyl-linked 3,5-Disubstituted-1,2,6-thiadiazine-1,1-dione Derivatives as HIV-1 NNRTIs.
Identifieur interne : 000F10 ( PubMed/Corpus ); précédent : 000F09; suivant : 000F11Design, Synthesis, and Biological Evaluation of Novel 4-Aminopiperidinyl-linked 3,5-Disubstituted-1,2,6-thiadiazine-1,1-dione Derivatives as HIV-1 NNRTIs.
Auteurs : Tao Liu ; Boshi Huang ; Ye Tian ; Xin Liang ; Hong Liu ; Huiqing Liu ; Peng Zhan ; Erik De Clercq ; Christophe Pannecouque ; Xinyong LiuSource :
- Chemical biology & drug design [ 1747-0285 ] ; 2015.
English descriptors
- KwdEn :
- MESH :
- chemical , chemical synthesis : Anti-HIV Agents.
- chemical , chemistry : Anti-HIV Agents.
- chemical , pharmacology : Anti-HIV Agents.
- drug therapy : HIV Infections.
- metabolism : HIV Infections, HIV-1.
- pathology : HIV Infections.
- Cell Line, Drug Design, Humans, Structure-Activity Relationship.
Abstract
Based on the hybridization of the privileged fragments in DABO and DAPY-typed HIV-1 NNRTIs, a novel series of 4-aminopiperidinyl-linked 3,5-disubstituted-1,2,6-thiadiazine-1,1-dione derivatives were designed, synthesized, and evaluated for their in vitro anti-HIV activities in MT-4 cells. Most of the target compounds showed weak inhibitory activity against WT HIV-1. In order to confirm the mode of action of the target compounds, representative compounds Ba8 and Bb8 were selected to perform the HIV-1 RT inhibitory assay. In this assay, Ba8 and Bb8 displayed good activity with IC50 values of 3.15 and 1.52 μm, respectively. Additionally, preliminary structure-activity relationships (SARs) analysis and molecular docking studies of newly synthesized compounds are also discussed.
DOI: 10.1111/cbdd.12468
PubMed: 25359703
Links to Exploration step
pubmed:25359703Le document en format XML
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<front><div type="abstract" xml:lang="en">Based on the hybridization of the privileged fragments in DABO and DAPY-typed HIV-1 NNRTIs, a novel series of 4-aminopiperidinyl-linked 3,5-disubstituted-1,2,6-thiadiazine-1,1-dione derivatives were designed, synthesized, and evaluated for their in vitro anti-HIV activities in MT-4 cells. Most of the target compounds showed weak inhibitory activity against WT HIV-1. In order to confirm the mode of action of the target compounds, representative compounds Ba8 and Bb8 were selected to perform the HIV-1 RT inhibitory assay. In this assay, Ba8 and Bb8 displayed good activity with IC50 values of 3.15 and 1.52 μm, respectively. Additionally, preliminary structure-activity relationships (SARs) analysis and molecular docking studies of newly synthesized compounds are also discussed. </div>
</front>
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