Fe–SBA-15 catalyzed synthesis of 2-alkoxyimidazo[1,2-a]pyridines and screening of their in silico selectivity and binding affinity to biological targets
| Autor: | Soumen Payra, Luther Mahoney, Thorn Dramstad, Sant Kumar Verma, Subhash Banerjee, Balaranjan Selvaratnam, Suresh Thareja, Chia-Ming Wu, Ranjit T. Koodali, Arijit Saha |
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| Rok vydání: | 2016 |
| Předmět: |
Steric effects
biology 010405 organic chemistry Stereochemistry In silico General Chemistry 010402 general chemistry 01 natural sciences Catalysis 0104 chemical sciences chemistry.chemical_compound Farnesyl diphosphate synthase chemistry Pyridine Materials Chemistry biology.protein Moiety Selectivity Mesoporous material |
| Zdroj: | New Journal of Chemistry. 40:9753-9760 |
| ISSN: | 1369-9261 1144-0546 |
| Popis: | Here, we have demonstrated regioselective three-component synthesis of 2-alkoxyimidazopyridines using mesoporous Fe–SBA-15 as the catalyst and screened their in silico selectivity and binding affinity to different biological targets viz. farnesyl diphosphate synthase, phosphodiesterase III, GABAa and chemokine receptor CXCR4 using molecular docking simulations. Fe–SBA-15 has been characterized by nitrogen absorption–desorption, powder XRD, SEM, TEM studies and atomic absorption spectroscopic analysis. Fe–SBA-15 was very efficient in synthesizing imidazopyridines. The binding affinity study revealed that the 2-butoxy-3-(4-methoxyphenyl)-7-methylH-imidazo[1,2-a] pyridine (4g) moiety has exhibited even better affinity in terms of MolDock, re-rank and steric scores than the marketed anti-inflammatory drug, olprinone. |
| Databáze: | OpenAIRE |
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