《Discovery of uracil-bearing DAPYs derivatives as novel HIV-1 NNRTIs via crystallographic overlay-based molecular hybridization》 was written by Zhang, Heng; Tian, Ye; Kang, Dongwei; Huo, Zhipeng; Zhou, Zhongxia; Liu, Huiqing; De Clercq, Erik; Pannecouque, Christophe; Zhan, Peng; Liu, Xinyong. Category: pyrimidinesThis research focused onuracil containing diarylpyrimidine preparation anti HIV QSAR; DAPYs; Drug design; Molecular hybridization; NNRTIs; Physicochemical properties; Uracil. The article conveys some information:
A novel series of uracil-bearing DAPYs derivatives were designed and synthesized via structure-based mol. hybridization to discover compounds with improved anti-resistance profiles. Anti-HIV activity of the designed compounds was tested in MT-4 cell cultures. The most promising compound I showed excellent activity with EC50 value of 5.6 nM against wide-type HIV-1 and low cytotoxicity (SI > 50000). Activity against the clinic prevalent mutant strains was also tested, suggesting that I was sensitive to E138K (EC50 = 34.2 nM). Primary drug-like properties, such as water solubility and logP, were evaluated by experiment or calculation, which indicated that introducing an uracil can improve solubility The mol. modeling accompanied with the preliminary SAR correlations paved the way for the next round of rational design of potent anti-HIV agents. The experimental part of the paper was very detailed, including the reaction process of 2,4,6-Trichloropyrimidine(cas: 3764-01-0Category: pyrimidines)
2,4,6-Trichloropyrimidine(cas: 3764-01-0) is a member of organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. They are generally not present in crude oils and are typically the result of additives, cleaning solutions or chemicals used for oil recovery.Category: pyrimidines
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia