Ferrocenylaniline based amide analogs of methoxybenzoic acids: Synthesis, structural characterization and butyrylcholinesterase (BChE) inhibition studies
| Autor: | Muhammad Hamayun, Muhammad Tahir, Ataf Ali Altaf, Samia Kausar, Amin Badshah, Bhajan Lal |
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| Rok vydání: | 2017 |
| Předmět: |
010405 organic chemistry
Stereochemistry Chemistry Hydrogen bond Organic Chemistry Intermolecular force Nuclear magnetic resonance spectroscopy Crystal structure 010402 general chemistry 01 natural sciences Combinatorial chemistry 0104 chemical sciences Analytical Chemistry Inorganic Chemistry chemistry.chemical_compound Ferrocene Docking (molecular) Amide Single crystal Spectroscopy |
| Zdroj: | Journal of Molecular Structure. 1146:130-137 |
| ISSN: | 0022-2860 |
| DOI: | 10.1016/j.molstruc.2017.05.132 |
| Popis: | Three new ferrocene based amides were synthesized with slight structural difference. The general formula of the amides is C5H5FeC5H4C6H4NHCOC6H4(OCH3). The synthesized compounds were characterized by instrumental techniques like elemental analysis, FTIR and NMR spectroscopy. Structure of the two compounds was also studied by single crystal X-rays diffraction analysis. Structural studies provide the evidence that pMeO (one of the synthesized compounds) is an example of amides having no intermolecular hydrogen bonding in solid structure. In the BChE inhibition assay, compound (oMeO) having strong intermolecular force in the solid structure is less active than the compound (pMeO) with weak intermolecular forces in the solid structure. The docking studies proved that hydrogen bonding between inhibitor and BChE enzyme is of more importance for the activity, rather than intermolecular hydrogen bonding in the solid structure of inhibitor. |
| Databáze: | OpenAIRE |
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