Synthesis and Molecular Docking Study of Hydrazone Schiff Bases of α‐Naphthalene‐Containing Alkyl Phenyl Ether Fragment as Potent α‐Amylase and α‐Glucosidase Inhibitors DOI

Tanzeela Ahmad Shah,

Aftab Alam,

Zainab Zainab

et al.

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(42)

Published: Nov. 1, 2024

Abstract In this study, new Schiff base derivatives of α‐naphthalene acetic acid containing alkyl phenyl ether fragment have been effectively synthesized through multistep reaction process, characterized by 1 H‐NMR and 13 C‐NMR spectroscopy. These tested for their in vitro α‐amylase α‐glucosidase inhibitory activities. the series, 8 compounds ( 2j, 2f, 2e, 2m, 2a, 2b, 2l, 2c ) exhibited promising inhibition with IC 50 values from 5.38 ± 0.36 to 14.59 0.64 µg/mL. Similarly, case activity, 10 2c, 2i, 2d, 2l excellent activity having 6.96 0.39 16.27 0.31 µg/mL, wheras remaining good‐to‐least antidiabetic potential. The ADME properties were calculated all using Swiss‐ADME web tool. Furthermore, docking studies identified binding modes compounds.

Language: Английский

Flurbiprofen Clubbed Schiff's Base Derivatives as Potent Anticancer Agents: In Vitro and In Silico Approach towards Breast Cancer DOI
Aftab Alam,

Faizullah Khan,

Najeeb Ur Rehman

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1321, P. 139743 - 139743

Published: Aug. 29, 2024

Language: Английский

Citations

4

Experimental and Computational Profiling of Novel Bis-Schiff Base Derivatives Bearing α-Naphthalene Moiety as Potential Tyrosinase Inhibitors DOI

Tanzeela Ahmad Shah,

Aftab Alam,

Zainab Zainab

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 139919 - 139919

Published: Sept. 1, 2024

Language: Английский

Citations

4

Exploring the Anti-Diabetic Activity of Benzimidazole Containing Schiff Base Derivatives: In Vitro α-amylase, α-glucosidase Inhibitions and In Silico Studies DOI
Abdul Shakoor, Ghulam Fareed, Imtiaz Ahmad

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140136 - 140136

Published: Sept. 1, 2024

Language: Английский

Citations

4

New 1,2,3-triazole-quinazolinone skeleton as potential cholinesterase and α-amylase inhibitors: In vitro and in silico studies DOI
Esra Erdoğan, Özge Güngör, Seyit Ali Güngör

et al.

Journal of Molecular Liquids, Journal Year: 2025, Volume and Issue: 424, P. 126986 - 126986

Published: Jan. 22, 2025

Citations

0

Copper(II) complexes of 2-hydroxy-1-naphthaldehyde Schiff bases: synthesis, in vitro activity and computational studies DOI

Tanzeela Ahmad Shah,

Aftab Alam,

Zainab Zainab

et al.

Future Medicinal Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 16

Published: Jan. 30, 2025

Background: Due to the divers biological applications of Cu(II) complexes, we in this study reports various complexes. The aims synthesize and assess new complexes as powerful β-glucuronidase inhibitors. Methods: Five Schiff base ligands their were synthesized, characterized, screened against inhibitory activity. Results: In series, compounds 3e, 3c, 2b, 2c ascribed inhibition ranging from (IC50 = 3.0 ± 0.7 µM) 19.2 0.8 µM). A precise particular arrangement atoms is suggested by triclinic p-1 space group existence a single molecule an asymmetric unit, which are indispensable for reactivity well stability compounds. analysis Hirshfeld surface provides information about hydrogen intermolecular π–π interactions. Based on molecular docking, binding potency increasing complexation 3a-e compared 2a-e reference Saccharic acid uronic isofagomine inhibitor, suggesting that it may be potent inhibitor these receptors. Conclusion: work recognizes latent active novel β-glucoronidase inhibitors, further support harnessed development drugs.

Language: Английский

Citations

0

Investigating the Antimicrobial, Antidiabetes, and Antioxidant Potential of Hydroxyl‐Containing Schiff Bases, In Vitro, and Computational Studies DOI
Adesola A. Adeleke, Segun D. Oladipo, Robert C. Luckay

et al.

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(7)

Published: Feb. 1, 2025

Abstract Four azomethine compounds ( L 1 –L 4 ) derived from the reaction of p ‐hydroxybenzaldehyde and various primary amines are reported herein. Various analytical spectroscopic techniques were employed to characterize synthesized compounds. The antidiabetic properties evaluated by exploring α‐amylase α‐glucosidase assays, where 2 3 displayed good with an IC 50 values 0.06 0.03 mg/ml for assay, respectively, better than acarbose (standard drug) value 0.08 mg/ml. With exception L4, antioxidant activity showed nitric oxide radical scavenging capacity their significant DPPH free ability. antibacterial activities dose‐dependent, notable activities. Computational studies using density functional theory molecular docking methods indicated that had energy gap 7.10 eV, making it least reactive, while 6.52 most chemically reactive.

Language: Английский

Citations

0

Identification and molecular mechanism study of a novel small molecule inhibitor targeting solute carrier family 7 member 11 for the treatment of hepatocellular carcinoma DOI
Xiaomeng Wang, Yan Yang, Qiao Fu

et al.

New Journal of Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Ferroptosis plays an extremely significant role in the development of hepatocellular carcinoma (HCC), and targeting tumor cells to induce ferroptosis has emerged as a new approach for treatment cancer.

Language: Английский

Citations

0

Synthesis of Novel Thiazole Derivatives Containing 3-Methylthiophene Carbaldehyde as Potent Anti α-Glucosidase Agents: In Vitro Evaluation, Molecular Docking, Dynamics, MM-GBSA, and DFT Studies DOI
Najeeb Ullah, Aftab Alam,

Zainab Zainab

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140070 - 140070

Published: Sept. 1, 2024

Language: Английский

Citations

3

Synthesis, Characterization, Enzyme Inhibition and Molecular Docking Studies of Benzothiazole Derivatives Bearing Alkyl Phenyl Ether Fragments DOI
Muhammad Usman, Aftab Alam,

Zainab Zainab

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1319, P. 139504 - 139504

Published: July 30, 2024

Language: Английский

Citations

2

Exploring bis-Schiff Bases with Thiobarbiturate Scaffold: In Vitro Urease Inhibition, Antioxidant Properties, and In Silico Studies DOI

Saba Gul,

Safia Maab,

Huma Rafiq

et al.

Russian Journal of Bioorganic Chemistry, Journal Year: 2024, Volume and Issue: 50(5), P. 1627 - 1638

Published: Oct. 1, 2024

Language: Английский

Citations

2