Synthesis, characterization and molecular docking studies on some new N-substituted 2-phenylpyrido[2,3-d]pyrimidine derivatives
| Autor: | Santosh R. Butle, Vivek B. Panchabhai, Parag G. Ingole |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Biotin carboxylase
0303 health sciences 03 medical and health sciences chemistry.chemical_compound Pyrimidine chemistry 010405 organic chemistry Stereochemistry Pharmacology (medical) 01 natural sciences Pharmacology Toxicology and Pharmaceutics (miscellaneous) 030304 developmental biology 0104 chemical sciences |
| Zdroj: | Research Journal of Pharmacy and Technology. :3846-3854 |
| ISSN: | 0974-360X 0974-3618 |
| DOI: | 10.52711/0974-360x.2021.00667 |
| Popis: | We report a novel scaffold of N-substituted 2-phenylpyrido(2,3-d)pyrimidine derivatives with potent antibacterial activity by targeting this biotin carboxylase enzyme. The series of eighteen N-substituted 2-phenylpyrido(2,3-d)pyrimidine derivatives were synthesized, characterized and further molecular docking studied to determine the mode of binding and energy changes with the crystal structure of biotin carboxylase (PDB ID: 2V58) was employed as the receptor with compounds 6a-r as ligands. The results obtained from the simulation were obtained in the form of dock score; these values represent the minimum energies. Compounds 6d, 6l, 6n, 6o, 6r and 6i showed formation of hydrogen bonds with the active site residues and van Der Walls interactions with the biotin carboxylase enzyme in their molecular docking studies. This compound can be studied further and developed into a potential antibacterial lead molecule. |
| Databáze: | OpenAIRE |
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