Ranganatha, V. Lakshmi published the artcileSynthesis, characterization, and antimicrobial analysis of 5-phenyl-4-((2-(piperazin-1-yl)ethyl)thio)-1,2,3-oxadiazole analogs through in-vitro and in-silico approach, Application In Synthesis of 118-90-1, the publication is Journal of Molecular Structure (2022), 132168, database is CAplus.
A sequence of novel 1,2,3-oxadiazole derivatives I [R1 = H, Cl, Br etc; R2 = H, methoxy, Br etc; R3 = H, CH3, Br, etc.] having 2-[(piperazin-1-yl)ethyl]thio moiety were synthesized by multistep synthesis. The newly synthesized compounds I were well characterized and their antimicrobial activities were carried out by disk diffusion and broth dilution methods. Further, among the series of compounds I, compound I [R1 = R2 = H; R 3= Cl] demonstrated a good inhibition against all the tested strains. Also, in-silico analyses including mol. docking simulations, mol. dynamics simulations and binding free energy calculations predicted that the compound I [R1= R2 = H; R3 = Cl] was an extensive and stable interaction with the target proteins. In addition, ADMET anal. also predicted that I [R1 = R2 = H; R3 = Cl] demonstrated no toxicity and carcinogenicity. This makes I [R1= R2 = H; R3 = Cl] one of the potent antimicrobial agents which can be used as a potential drug in the near future.
Journal of Molecular Structure published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Application In Synthesis of 118-90-1.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia