Synthesis, Urease Inhibitory Activity, Molecular Docking, Dynamics, MMGBSA and DFT Studies of Schiff Bases Bearing Benzimidazole Scaffold DOI
Abdul Shakoor,

Faheem Jan,

Sudais Rahman

и другие.

Chemistry & Biodiversity, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 12, 2024

In this study, eleven hydrazone-Schiff bases bearing benzimidazole moiety were synthesized successfully via three step reactions and structures of these products deduced by HR-ESI-MS,

Язык: Английский

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

и другие.

ChemistrySelect, Год журнала: 2024, Номер 9(42)

Опубликована: Ноя. 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.

Язык: Английский

Процитировано

1
Exploring 1,3,4-Oxadiazole Derivatives of 3,4-Dihydroxyphenylacetic Acid as Potent α-Glucosidase Inhibitors: Synthesis, Structure-Activity Relationship, Molecular Docking, and DFT Studies DOI
Hammad Khan,

Faheem Jan,

Aqsa Aqsa

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 141211 - 141211

Опубликована: Дек. 1, 2024

Язык: Английский

Процитировано

1
In vitro α-glucosidase, docking and density functional theory studies on novel azide metal complexes DOI
Davut Avcı,

Özgen Özge,

Fatih Sönmez

и другие.

Future Medicinal Chemistry, Год журнала: 2024, Номер 16(11), С. 1109 - 1125

Опубликована: Май 20, 2024

Aim: The goal of this study is to synthesize new metal complexes containing N-methyl-1-(pyridin-2-yl)methanimine and azide ligands as α-glucosidase inhibitors for Type 2 diabetes. Materials & methods: target (12–16) were synthesized by reacting (L1) with sodium in the presence corresponding salts. investigation protein interactions, vibrational, electronic nonlinear optical properties these was performed molecular docking density functional theory studies. Results: Among complexes, complex 13 (IC50 = 0.2802 ± 0.62 μM) Hg ion showed highest inhibitory property. On other hand, significant results detected Cu Ag ions. Conclusion: Complex may be an alternate anti-diabetic inhibitor according vitro/docking results.

Язык: Английский

Процитировано

0
Discovering the DPPH Free Radical Scavenging Activity of Azine Derivatives Bearing Ethyl Phenyl Ketone Moiety DOI
Munir Ur Rehman, Aftab Alam, Syed Adnan Alı Shah

и другие.

Russian Journal of Bioorganic Chemistry, Год журнала: 2024, Номер 50(5), С. 1639 - 1645

Опубликована: Окт. 1, 2024

Язык: Английский

Процитировано

0
Synthesis, Urease Inhibitory Activity, Molecular Docking, Dynamics, MMGBSA and DFT Studies of Schiff Bases Bearing Benzimidazole Scaffold DOI
Abdul Shakoor,

Faheem Jan,

Sudais Rahman

и другие.

Chemistry & Biodiversity, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 12, 2024

In this study, eleven hydrazone-Schiff bases bearing benzimidazole moiety were synthesized successfully via three step reactions and structures of these products deduced by HR-ESI-MS,

Язык: Английский

Процитировано

0