Meng, Qing published the artcileDesign, synthesis and evaluation of novel HIV-1 NNRTIs with dual structural conformations targeting the entrance channel of the NNRTI binding pocket, Computed Properties of 56-05-3, the publication is European Journal of Medicinal Chemistry (2016), 53-62, database is CAplus and MEDLINE.
On the basis of structure-based bioisosteric replacement and mol. hybridization strategy, a series of novel dual structural-conformation inhibitors targeting the “entrance channel” of HIV-1 NNRTIs binding pocket (NNIBP) were designed and synthesized. All of the new compounds were evaluated for their anti-HIV activities in MT-4 cells using the MTT method. Five compounds exhibited moderate to excellent potencies inhibiting wild-type (weight) HIV-1 replication with EC50 values ranging from 31.36 μM to 0.11 μM. Among them, compound I was identified as the most potent inhibitor with EC50 values of 0.11 μM and 2.18 μM against weight and K103N/Y181C double mutant HIV-1 strain (RES056), resp. In addition, preliminary structure-activity relationships (SARs) and mol. simulation studies were discussed, which may provide valuable insights for further optimization.
European Journal of Medicinal Chemistry published new progress about 56-05-3. 56-05-3 belongs to pyrimidines, auxiliary class Pyrimidine,Chloride,Amine,API, name is 2-Amino-4,6-dichloropyrimidine, and the molecular formula is C4H3Cl2N3, Computed Properties of 56-05-3.
Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia