Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Shoolini University, Solan, Himachal Pradesh 173 229, India.
Natural Product Chemistry Division, CSIR-Indian Institute of Integrative Medicine, Jammu, Jammu and Kashmir 180 001, India.
Bioorg Med Chem Lett. 2019 Dec 15;29(24):126750. doi: 10.1016/j.bmcl.2019.126750. Epub 2019 Oct 19.
A green chemistry approach has been developed for the synthesis of chromene dihydropyrimidinone (CDHPM) using recyclable Fe/Al pillared clay catalyst. Pharmacokinetic parameters like aqueous solubility, lipophilicity, P-glycoprotein (P-gp) ATPase activity, permeability, plasma protein binding, red blood cell (RBC) partitioning, metabolic stability in liver microsomes and in silico computations have been studied for the most potent anticancer chromene dihydropyrimidinone hybrid 1. This compound exhibited low solubility, optimum lipophilicity, no P-gp inhibitory activity, intermediate permeability, high plasma protein binding, low RBC partitioning, acceptable metabolic stability in rat liver microsomes (RLM) as well as human liver microsomes (HLM) with transitional hepatic extraction ratio.
已经开发出一种绿色化学方法，使用可回收的 Fe/Al 柱撑粘土催化剂合成色烯二氢嘧啶酮（CDHPM）。对最有效的抗癌色烯二氢嘧啶酮杂化物 1 进行了药代动力学参数研究，如水溶性、亲脂性、P-糖蛋白（P-gp）ATP 酶活性、渗透性、血浆蛋白结合率、红细胞（RBC）分配率、肝微粒体中的代谢稳定性和计算机模拟。该化合物表现出低溶解度、最佳亲脂性、无 P-gp 抑制活性、中等渗透性、高血浆蛋白结合率、低 RBC 分配率、在大鼠肝微粒体（RLM）和人肝微粒体（HLM）中具有可接受的过渡性肝提取率的代谢稳定性。
Comb Chem High Throughput Screen. 2018
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