Boddiboyena, Ramesh; Reddy, G. Nagendra; Seelam, Nareshvarma; Sarma, Monima; Gudisela, Mura reddy published the artcile< Design, synthesis, anticancer evaluation, molecular docking, and in silico ADME analysis of novel chalcones incorporated indole-pyrimidine derivatives as promising anticancer agents>, Application In Synthesis of 27841-33-4, the main research area is indolepyrimidine antitumor mol docking.
A novel library of aryl rings attached chalcone derivatives of indole-pyrimidines (10a-j) were designed, synthesized, and evaluated for anticancer activities against four human cancer cell lines such as PC3, DU-145 (prostate), A549 (lung), and MCF-7 (breast) by employing MTT method. The results of the MTT assay showed that all the synthetic compounds had some tumor cell growth inhibitory activities with IC50 values range from 0.01±0.005 μM to 14.6 ± 6.32 μM, and standard drug with values 1.97 ± 0.45 μM to 3.08 ± 0.135 μM, resp. Among them, compounds (10a, 10b, 10c, 10d, and 10e) displayed remarkable activities, and out of which compounds 10a and 10d were found to be the most promising with potential anti-cancer activity. Mol. docking studies of the compounds were carried out against SARM (PDB ID: 3V49) and the docking results exclusively proposed binding modes in the active site of SARM. Among all, 10a, 10b, 10d, 10 h and 10j showed comparable dock score, 10a and 10b (-142.89 and -145.13) displayed pronounced interactions when compared with co-crystal ligand (-143.40). Finally, in silico predictions of ADME and pharmacokinetic parameters indicated that all these compounds could be considered as drug candidates with oral bioavailability.
Chemical Data Collections published new progress about Antitumor agents. 27841-33-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H12N2O2, Application In Synthesis of 27841-33-4.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics