Synthesis, Characterization, Pass prediction, In-silico ADME, Molecular docking and Cyclic voltammetry studies of 1, 4, 5-trisubstituted 1, 2, 3-triazole ethanone and ethanol derivatives via Metal free approach
| Autor: | D. B. Aruna Kumar, Golla Ramesh, B. Roopa, Pruthviraj K, Krishna swamy G, P. Raghuram Shetty, B.S. Rajeshwari, H.J. Preritha, M. Ravikumar, Salma Banu, Swamy Sreenivasa |
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| Rok vydání: | 2020 |
| Předmět: |
1
2 3-Triazole Ethanol 010405 organic chemistry Chemistry medicine.drug_class In silico General Chemistry 010402 general chemistry Antimicrobial Antimycobacterial 01 natural sciences Combinatorial chemistry Cycloaddition 0104 chemical sciences chemistry.chemical_compound medicine Cyclic voltammetry ADME |
| Zdroj: | Chemical Data Collections. 28:100452 |
| ISSN: | 2405-8300 |
| Popis: | In the present investigation, we focused our interest on the synthesis of 1, 4, 5-disubstituted 1, 2, 3-triazoles ethanone derivative through metal free cycloaddition reaction and their reduced ethanol derivatives. The structures of the compound were established on the basis of spectral data such as FTIR, multi nuclear NMR (1H &13C) and Elemental analysis. Estimation of the pharmacological potential (antimicrobial, antimycobacterial, anti-inflammatory and antineoplastic) of the synthesised compounds has been carried out on the basis Prediction of activity spectra for substances (PASS). Interestingly, PASS prediction of the compounds (5a-f) & (6a-f) showed that none of the synthesised compounds act as antineoplastic agents compared to standard CAI an potent antineoplastic agent (Pa Table 1 ). |
| Databáze: | OpenAIRE |
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