Preliminary investigation on biological possessions of Saquinavir-modified quinoline-derived azadipeptidomimetics

Herein, azadipeptidomimetic molecules were designed and synthesized using a quinoline-histidine-amino acid sequence with terminal amino acid modification. In-silico studies were carried out to evaluate the compound's HIV protease-1 inhibition temperament. In-vitro anti-proliferative possessions of the test compounds were studied by executing a series of experiments, namely DNA binding, bovine serum albumin (BSA) binding capability, and cytotoxicity assay on MCF-7 cells. The molecule 5j exhibited remarkable results in all experiments; it has an excellent DNA binding constant (3.76 × 10⁵), higher serum albumin unbound concentration of 5.96%, and a significant antiproliferative effect on MCF-7 cells with IC₅₀ value 0.31 nM.     

Crystal and molecular structure of 2,6‐bis(4‐chlorophenyl)‐3‐phenylpiperidin‐4‐one

The crystal structure of the title compound is described. The chemical formula of the compound is C₂₃H₁₉Cl₂NO. The compound is found to crystallize in monoclinic system with space group P2₁/c, Z = 4. The unit cell dimensions are a = 15.137(3) Å, b = 8.9171(18) Å, c = 14.779(3) Å, β = 91.461(4)° and V = 1994.2(7) ų, D_calc = 1.320 gcm^‐3. The final R factor is 4.4%. The central piperidone ring of the molecule adopts a slightly distorted chair conformation, the mean torsion angle being 52.3°; the phenyl rings are planar. (© 2003 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)