A New Class of β–Pyrrolidino-1,2,3-Triazole Derivatives as β-Adrenergic Receptor Inhibitors: Synthesis, Pharmacological, and Docking Studies
| Autor: | Abdulrahman I. Almansour, Kella Chennakesava Rao, Natarajan Arumugam, Chandrasekar Balachandran, Raju Suresh Kumar, Y. Arun, Kaliyappan Easwaramoorthi, Dhaifallah M. Al-thamili, Sakkarapalayam M. Mahalingam, Jeya Rajendran, Shin Aoki |
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| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
1
2 3-Triazole Stereochemistry Adrenergic beta-Antagonists Molecular Conformation Pharmaceutical Science Antineoplastic Agents Chemistry Techniques Synthetic Microbial Sensitivity Tests Molecular Dynamics Simulation β–pyrrolidino-1 2 3-triazole Article Analytical Chemistry Catalysis lcsh:QD241-441 Structure-Activity Relationship chemistry.chemical_compound Anti-Infective Agents lcsh:Organic chemistry Drug Discovery Humans Anaplastic lymphoma kinase Physical and Theoretical Chemistry Receptor Cytotoxicity A549 cell antimicrobial activity Dose-Response Relationship Drug Molecular Structure Organic Chemistry docking studies Triazoles Antimicrobial β-adrenoceptors Molecular Docking Simulation anticancer activity chemistry Chemistry (miscellaneous) Docking (molecular) Molecular Medicine Receptors Adrenergic beta-2 Protein Binding |
| Zdroj: | Molecules, Vol 24, Iss 19, p 3501 (2019) Molecules Volume 24 Issue 19 |
| ISSN: | 1420-3049 |
| Popis: | New 1,4-disubstituted &beta pyrrolidino-1,2,3-triazoles were synthesized using a reusable copper-iodide-doped neutral alumina catalyst. Synthesis of diversely substituted triazoles and recyclability of CuI catalyst explains the broad scope of this protocol. The synthesized compounds were screened for their antimicrobial and anticancer properties. Most of the compounds showed significant antimicrobial activities against all the tested microorganisms compared to standard drugs. Furthermore, compounds 5a, 5e, 5g, 5h, 5i, and 5j showed moderate to potent activities against A549 and HepG-2 cells. In addition, compounds 5g and 5h displayed potential cytotoxicity activity against A549 cells with IC50 values of 72 ± 3.21 and 58 ± 2.31 µ M, respectively. The molecular docking study revealed that some of the synthesized compounds exhibited comparable binding as co-crystalized ligands with the DNA topoisomerase IV and anaplastic lymphoma kinase receptors. |
| Databáze: | OpenAIRE |
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