Synthesis, characterization and molecular docking studies of some new 1,3,4-oxadiazolines bearing 6-methylpyridine moiety for antimicrobial property

Shyma, P. C.; Kalluraya, Balakrishna; Peethambar, S. K.; Telkar, Sandeep; Arulmoli, T.

doi:10.1016/j.ejmech.2013.07.019

Cited by 38 publications

(31 citation statements)

References 29 publications

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“…Whereas other compounds showed moderate antibacterial activity against all tested bacteria (Fig. 13) (Shyma et al 2013).…”

Section: Antibacterial Activitymentioning

confidence: 93%

“…12) (El-Emam et al 2012). Shyma et al (2013) synthesized two series of 1,3,4oxadiazole derivatives. New 3-acetyl-2-aryl-5-[3-(6methylpyridinyl)]-2,3-dihydro-1,3,4-oxadiazole (34-42) and 3-acetyl-2-aryl-2-methyl-5-[3-(6-methylpyridinyl)]-2,3dihydro-1,3,4-oxadiazole (43-47) were obtained by four step synthesis (Fig.…”

Section: Antibacterial Activitymentioning

confidence: 99%

“…In addition, synthesized compounds were also tested for antiinflammatory, cytotoxic and antioxidant activity (Koçyiğit-Kaymakçıoğlu et al 2012). Shyma et al (2013) synthesized two series of compounds:…”

Section: Antifungal Activitymentioning

confidence: 99%

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Antimicrobial and antiprotozoal activity of 3-acetyl-2,5-disubstituted-1,3,4-oxadiazolines: a review

2019

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In the last 20 years there has been a significant increase in interest in the structure of oxadiazole derivatives, especially 3-acetyl-1,3,4-oxadiazolines. It is known that these derivatives possess: antibacterial, antifungal, antitubercular, antiprotozoal, anticancer and anti-inflammatory activity. Therefore, many medicinal chemists choose 3-acetyl-1,3,4oxadiazoline scaffold for the synthesis of new potentially active substances with a better effectiveness and less toxicity. This article is a literature review since 2000 presenting new derivatives with proven antimicrobial and antiprotozoal activity, containing in its structure a 3-acetyl-1,3,4-oxadiazoline system.

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“…Whereas other compounds showed moderate antibacterial activity against all tested bacteria (Fig. 13) (Shyma et al 2013).…”

Section: Antibacterial Activitymentioning

confidence: 93%

Section: Antibacterial Activitymentioning

confidence: 99%

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Antimicrobial and antiprotozoal activity of 3-acetyl-2,5-disubstituted-1,3,4-oxadiazolines: a review

2019

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“…GlcN‐6‐P synthase produces GlcN‐6‐P which is vital for the pathogenic cells. So, inactivation of this enzyme is lethal for the microorganism . This inactivation and subsequent antimicrobial activity can be studied theoretically using molecular docking …”

Section: Introductionmentioning

confidence: 99%

Preparation, crystal structure, spectroscopic studies, DFT calculations, antibacterial activities and molecular docking of a tridentate Schiff base ligand and its cis‐MoO₂ complex

Ebrahimipour

Khosravan

White

et al. 2018

Applied Organom Chemis

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We synthesized a tridentate Schiff base ligand, 6-(((2-hydroxyphenyl)amino) methylene)-2-methoxycyclohexa-2,4-dienone [H 2 L], as well as its Mo(VI) complex [MoO 2 (L)(DMSO)], and then characterized them completely using elemental analysis, FT-IR, UV-Vis and 1 HNMR spectroscopy techniques. Xray single crystal diffraction method was used for the determination of the structure of the synthesized ligand and complex. All other spectroscopic techniques performed, confirmed that [MoO 2 (L)(DMSO)]had an octahedral geometry around the Mo(VI) central ion coordinated by the donor atoms of the deprotonated ligand, two oxido groups and one oxygen atom of DMSO molecule. Hybrid functional B3LYP with DGDZVP as basis set was applied for DFT calculations of the compounds in their ground state. The MEP, Mulliken, HOMO-LUMO energy gap and thermodynamic properties of the compounds were also theoretically predicted. In-vitro antimicrobial studies on the synthesized compounds indicated the great antibacterial activities of the Mo(VI) complex against Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa and Bacillus cereus bacteria.

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“…In mammals, UDP‐GlcNAc is used for biosynthesis of glycoproteins and mucopolysaccharides . Targeting GlcN‐6‐P synthase is a selective approach for inhibiting fungal growth with better selectivity and low toxicity as short‐time inactivation of GlcN‐6‐P synthase in fungal cells is fatal for the pathogen while in mammals depletion of the aminosugar pool for a short time is not dangerous, because of a long half lifetime of GlcN‐6‐P synthase and rapid expression of the mammalian gene encoding the enzyme .…”

Section: Introductionmentioning

confidence: 99%

Design, Synthesis, Molecular Modeling Study, and Antimicrobial Activity of Some Novel Pyrano[2,3‐b]pyridine and Pyrrolo[2,3‐b]pyrano[2.3‐d]pyridine Derivatives

Elkanzi

Bakr

Ghoneim

2018

Journal of Heterocyclic Chem

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Novel derivatives of pyrano[2,3‐b]pyridine and pyrrolo[2,3‐b]pyrano[2.3‐d]pyridine were prepared, and their structures were elucidated by spectral and elemental analyses. The newly prepared candidates were evaluated for their antimicrobial activity against Candida sp., Aspergillus multi, Aspergillus niger, Escherichia coli, and Staphylococcus aureus. All the tested compounds revealed potent to moderate activity toward all tested microorganisms; especially, candidate 10 showed comparable antifungal activity as that showed by the standard drug ketoconazole toward Candida sp., and ethyl 4‐methyl‐1,7,8,9‐tetrahydropyrano[2,3‐b]pyrrolo[2,3‐d]pyridine‐3‐carboxylate (12) was the most active compound against all the tested bacteria. Furthermore, the newly synthesized compounds are subjected to molecular docking study for the inhibition of the enzyme L‐glutamine: D‐fructose‐6‐phosphate amidotransferase [GlcN‐6‐P], which is a new target for antimicrobials to explain action mode of these target compounds as leads for discovering other antimicrobial agents.

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Synthesis, characterization and molecular docking studies of some new 1,3,4-oxadiazolines bearing 6-methylpyridine moiety for antimicrobial property

Cited by 38 publications

References 29 publications

Antimicrobial and antiprotozoal activity of 3-acetyl-2,5-disubstituted-1,3,4-oxadiazolines: a review

Antimicrobial and antiprotozoal activity of 3-acetyl-2,5-disubstituted-1,3,4-oxadiazolines: a review

Preparation, crystal structure, spectroscopic studies, DFT calculations, antibacterial activities and molecular docking of a tridentate Schiff base ligand and its cis‐MoO₂ complex

Design, Synthesis, Molecular Modeling Study, and Antimicrobial Activity of Some Novel Pyrano[2,3‐b]pyridine and Pyrrolo[2,3‐b]pyrano[2.3‐d]pyridine Derivatives

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Synthesis, characterization and molecular docking studies of some new 1,3,4-oxadiazolines bearing 6-methylpyridine moiety for antimicrobial property

Cited by 38 publications

References 29 publications

Antimicrobial and antiprotozoal activity of 3-acetyl-2,5-disubstituted-1,3,4-oxadiazolines: a review

Antimicrobial and antiprotozoal activity of 3-acetyl-2,5-disubstituted-1,3,4-oxadiazolines: a review

Preparation, crystal structure, spectroscopic studies, DFT calculations, antibacterial activities and molecular docking of a tridentate Schiff base ligand and its cis‐MoO2 complex

Design, Synthesis, Molecular Modeling Study, and Antimicrobial Activity of Some Novel Pyrano[2,3‐b]pyridine and Pyrrolo[2,3‐b]pyrano[2.3‐d]pyridine Derivatives

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Preparation, crystal structure, spectroscopic studies, DFT calculations, antibacterial activities and molecular docking of a tridentate Schiff base ligand and its cis‐MoO₂ complex