130636-61-2Relevant articles and documents
Identification of novel potent HIV-1 inhibitors by exploiting the tolerant regions of the NNRTIs binding pocket
Sun, Yanying,Kang, Dongwei,Da, Feng,Zhang, Tao,Li, Pei,Zhang, Baodan,De Clercq, Erik,Pannecouque, Christophe,Zhan, Peng,Liu, Xinyong
, (2021)
With our previously identified potent NNRTIs 25a and HBS-11c as leads, series of novel thiophene[3,2-d]pyrimidine and thiophene[2,3-d]pyrimidine derivatives were designed via molecular hybridization strategy. All the target compounds were evaluated for their anti-HIV-1 activity and cytotoxicity in MT-4 cells. Compounds 16a1 and 16b1 turned out to be the most potent inhibitors against WT and mutant HIV-1 strains (L100I, K103N, and E138K), with EC50 values ranging from 0.007 μM to 0.043 μM. Gratifyingly, 16b1 exhibited significantly reduced cytotoxicity (CC50 > 217.5 μM) and improved water solubility (S = 49.3 μg/mL at pH 7.0) compared to the lead 25a (S 50 = 2.30 μM). Moreover, molecular docking was also conducted to rationalize the structure-activity relationships of these novel derivatives and to understand their key interactions with the binding pocket.
Exploiting the tolerant region I of the non-nucleoside reverse transcriptase inhibitor (NNRTI) binding pocket. Part 2: Discovery of diarylpyrimidine derivatives as potent HIV-1 NNRTIs with high Fsp3 values and favorable drug-like properties
Jiang, Xiangyi,Huang, Boshi,Olotu, Fisayo A.,Li, Jing,Kang, Dongwei,Wang, Zhao,De Clercq, Erik,Soliman, Mahmoud E.S.,Pannecouque, Christophe,Liu, Xinyong,Zhan, Peng
, (2020/12/07)
To yield potent HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with favorable drug-like properties, a series of novel diarylpyrimidine derivatives targeting the tolerant region I of the NNRTI binding pocket were designed, synthesized and b
Triazole CYP51-HDAC double-target antifungal compound as well as preparation method and application thereof
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Paragraph 0205-0208, (2020/07/15)
The invention discloses a triazole CYP51-HDAC double-target antifungal compound, which has a structural general formula disclosed in the invention, wherein R is selected from one of the structures disclosed in the invention. According to the triazole CYP5
