Synthesis characterization and biological evaluation of some novel 5 Aminosalicylic acid derivatives

Abstract

quotABSTRACT newlineMedicinal chemists design and create novel drugs. Initially, scientists concentrated on isolating newlineplant-based medicinal molecules. Scientists today are equally interested in developing novel newlinesynthetic drugs/compounds. Medicinal chemistry is driven by drug discovery. Hundreds of newlinethousands of analogs of weakly active lead moieties are typically synthesized to increase activity, newlinebioavailability, selectivity, and toxicity. According to the literature, 5-aminosalicylic acid and its newlinederivatives have possessing potential biological properties. Novel 5-aminosalicylic acid newlinederivatives were synthesized, evaluated in this study. All moieties were evaluated for ADME and newlinetoxicity. Molecular docking was used to examine the target (6GHU) enzyme binding affinity of newlineall produced compounds. All nineteen complexes with (6GHU) protein were found by molecular newlinedocking at clustering RMSD 4.0, demonstrating significant interactions. The binding energies of newlinethe nineteen compounds ranged from 7.1 to 9.5 kcal/mol. The complex structure with the lowest newlinebinding energy was the most likely and energetically advantageous. Due to pharmacophores such newlineas HBA, HBD, aromatic rings, hydrophobic, negative ionizable, and positive ionizable, all newlinecompounds established a network of molecular interactions (conventional H-bonds, Van der newlineWaals, alkyl, Pialkyl, Pi-Lone pair, Pi-cation, Pi-anion, and halogen bonds) with the (6GHU) newlineenzyme in 2D plots. Physical and spectral characterization of produced substances were carried newlineout. Anticancer activity was assessed using the MTT assay after the structure was confirmed by newlinespectral analysis. In this test, succinate dehydrogenase transforms tetrazolium salts into newlineformazan, a colorful product. Because only metabolically active cells split tetrazolium salts, the newlinenumber of surviving cells is proportional to the amount of formazan generated. In this study, a newlineseries of synthetic compounds derived from aminosalicylic acid (ASA), namely A1, A5, A10, newlineA11, A12, A13, A18, and A19, exhibited pote