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https://doi.org/10.2478/acph-2022-0004

Design, synthesis and molecular modeling study of substituted indoline-2- ones and spiro[indole-heterocycles] with potential activity against Gram-positive bacteria

AWWAD ABDOH RADWAN   ORCID icon orcid.org/0000-0003-0269-7123
FARES KAED AANAZI ; Kayyali Chair, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh, 11451, Saudi Arabia; Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Assiut University, Assiut-71527, Egypt; Department of Pharmaceutics, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia
MOHAMMED AL-AGAMY ; Department of Pharmaceutics, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia; Department of Microbiology and Immunology, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt
GAMAL MOHAMMAD MAHROUS ; Department of Pharmaceutics, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia

Puni tekst: engleski, pdf (980 KB) str. 79-95 preuzimanja: 51* citiraj
APA 6th Edition
RADWAN, A.A., AANAZI, F.K., AL-AGAMY, M. i MAHROUS, G.M. (2022). Design, synthesis and molecular modeling study of substituted indoline-2- ones and spiro[indole-heterocycles] with potential activity against Gram-positive bacteria. Acta Pharmaceutica, 72 (1), 79-95. https://doi.org/10.2478/acph-2022-0004
MLA 8th Edition
RADWAN, AWWAD ABDOH, et al. "Design, synthesis and molecular modeling study of substituted indoline-2- ones and spiro[indole-heterocycles] with potential activity against Gram-positive bacteria." Acta Pharmaceutica, vol. 72, br. 1, 2022, str. 79-95. https://doi.org/10.2478/acph-2022-0004. Citirano 21.10.2021.
Chicago 17th Edition
RADWAN, AWWAD ABDOH, FARES KAED AANAZI, MOHAMMED AL-AGAMY i GAMAL MOHAMMAD MAHROUS. "Design, synthesis and molecular modeling study of substituted indoline-2- ones and spiro[indole-heterocycles] with potential activity against Gram-positive bacteria." Acta Pharmaceutica 72, br. 1 (2022): 79-95. https://doi.org/10.2478/acph-2022-0004
Harvard
RADWAN, A.A., et al. (2022). 'Design, synthesis and molecular modeling study of substituted indoline-2- ones and spiro[indole-heterocycles] with potential activity against Gram-positive bacteria', Acta Pharmaceutica, 72(1), str. 79-95. https://doi.org/10.2478/acph-2022-0004
Vancouver
RADWAN AA, AANAZI FK, AL-AGAMY M, MAHROUS GM. Design, synthesis and molecular modeling study of substituted indoline-2- ones and spiro[indole-heterocycles] with potential activity against Gram-positive bacteria. Acta Pharm. [Internet]. 2022 [pristupljeno 21.10.2021.];72(1):79-95. https://doi.org/10.2478/acph-2022-0004
IEEE
A.A. RADWAN, F.K. AANAZI, M. AL-AGAMY i G.M. MAHROUS, "Design, synthesis and molecular modeling study of substituted indoline-2- ones and spiro[indole-heterocycles] with potential activity against Gram-positive bacteria", Acta Pharmaceutica, vol.72, br. 1, str. 79-95, 2022. [Online]. https://doi.org/10.2478/acph-2022-0004

Sažetak
Longstanding and firsthand infectious diseases are challenging community health threats. A new series of isatin derivatives bearing β-hydroxy ketone, chalcone, or spiro-heterocycle moiety, was synthesized in a good yield. Chemical structures of the synthesized compounds were elucidated using spectroscopic techniques and elemental analysis. Antibacterial activities of the compounds were then evaluated in vitro and by in silico modeling. The compounds were more active against Gram-positive bacteria, Staphylococcus aureus (MIC = 0.026–0.226 mmol L–1) and Bacillus subtilis (MIC = 0.348–1.723 mmol L–1) than against Gram-negative bacteria (MIC = 0.817–7.393 mmol L–1). Only 3-hydroxy-3-(2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl)indolin-2-one (1b) was found as active as imipenem against S. aureus (MIC = 0.026 mmol L–1). In silico docking of the compounds in the binding sites of a homology modeled structure of S. aureus histidine kinase-Walk allowed us to shed light on the binding mode of these novel inhibitors. The highest antibacterial activity of 1b is consistent with its highest docking score values against S. aureus histidine kinase.

Ključne riječi
2-indolinone; spiro[indole-heterocyles]; antimicrobial; docking study

Hrčak ID: 253970

URI
https://hrcak.srce.hr/253970

Posjeta: 89 *