Novel quinoline derivatives as potent in vitro α-glucosidase inhibitors: in silico studies and SAR predictions

MedChemComm ◽  
2015 ◽  
Vol 6 (10) ◽  
pp. 1826-1836 ◽  
Author(s):  
Muhammad Taha ◽  
Nor Hadiani Ismail ◽  
Syahrul Imran ◽  
Abdul Wadood ◽  
Fazal Rahim ◽  
...  
Keyword(s):  
In Silico ◽  
Quinoline Derivatives ◽  
Glucosidase Inhibitors ◽  
In Silico Studies

A new series of exceptionally potent quinoline derivatives 6–30 as α-glucosidase inhibitors was identified.

Design, synthesis, in vitro, and in silico studies of novel diarylimidazole-1,2,3-triazole hybrids as potent α-glucosidase inhibitors

2019 ◽  
Vol 27 (23) ◽  
pp. 115148 ◽  
Author(s):  
Mina Saeedi ◽  
Maryam Mohammadi-Khanaposhtani ◽  
Mohammad Sadegh Asgari ◽  
Nafiseh Eghbalnejad ◽  
Somaye Imanparast ◽  
...  
Keyword(s):  
In Silico ◽  
Design Synthesis ◽  
Glucosidase Inhibitors ◽  
In Silico Studies

Synthesis of Chalcones as Potential α ‐Glucosidase Inhibitors, In‐Vitro and In‐Silico Studies

2021 ◽  
Vol 6 (37) ◽  
pp. 9933-9940
Author(s):  
Asma Mukhtar ◽  
Shazia Shah ◽  
Kanwal ◽  
Khalid Mohammed Khan ◽  
Shahid Ullah Khan ◽  
...  
Keyword(s):  
In Silico ◽  
Glucosidase Inhibitors ◽  
In Silico Studies

Dihydropyridines as potential α-amylase and α-glucosidase inhibitors: Synthesis, in vitro and in silico studies

2020 ◽  
Vol 96 ◽  
pp. 103581 ◽  
Author(s):  
Hina Yousuf ◽  
Shahbaz Shamim ◽  
Khalid Mohammed Khan ◽  
Sridevi Chigurupati ◽  
Kanwal ◽  
...  
Keyword(s):  
In Silico ◽  
Glucosidase Inhibitors ◽  
In Silico Studies

Young apple polyphenols as natural α-glucosidase inhibitors: In vitro and in silico studies

2020 ◽  
Vol 96 ◽  
pp. 103625 ◽  
Author(s):  
Tian Gong ◽  
Xi Yang ◽  
Fangting Bai ◽  
Dan Li ◽  
Ting Zhao ◽  
...  
Keyword(s):  
In Silico ◽  
Glucosidase Inhibitors ◽  
In Silico Studies ◽  
Young Apple

scholarly journals Synthesis, antimicrobial evaluation and in silico studies of novel 3,4-disubstituted pyrrolidinesulfonamides

2019 ◽  
pp. 28-40
Author(s):  
Badampudi Santosh Kumar ◽  
Gudhi Madhu ◽  
Lk Ravindranath
Keyword(s):  
Antimicrobial Activity ◽  
Active Site ◽  
In Silico ◽  
Glucosidase Inhibitors ◽  
Docking Method ◽  
In Silico Studies ◽  
Antimicrobial Evaluation ◽  
Antibacterial And Antifungal ◽  
Free Energy Of Binding

3,4-Disubstituted pyrrolidinesulfonamides were synthesized and screened for their antimicrobial activity. Title compounds were established as potent antibacterial and antifungal agents. Noteworthy antimicrobial activity was found for the title compounds against the tested microorganisms. They exhibit comparable results with standard drugs. Besides the in vitro antimicrobial activity, the synthesized compounds were evaluated for their in silico inhibitory activity on active site of β-glucosidase enzyme. In silico studies were done by GOLD docking method against β-glucosidase 3VKK (PDB Id). In silico studies were conducted to evaluate the ability of synthesized compounds to inhibit the β-glucosidase enzyme. The results revealed that 3,4-disubstitutedpyrrolidinesulfonamides are the potent β-glucosidase inhibitors by binding at the active site. A sensible inhibition against β-glucosidases was observed for the compound with 13,4-oxadizole ring has higher β-glucosidase inhibition activity than the other compounds. The free energy of binding and inhibition constant (Ki) of the docked compounds were evaluated and presented.

scholarly journals Identification of Benzothiazole‒Rhodanine Derivatives as α-Amylase and α-Glucosidase Inhibitors: Design, Synthesis, In-silico and In-Vitro Analysis

2021 ◽  
Author(s):  
Revanasiddappa B C ◽  
Mahendra Gowdru Sriniv ◽  
Natasha Naval Aggarwal ◽  
Banylla Felicity Dkhar Gatphoh ◽  
Madan Kumar S ◽  
...  
Keyword(s):  
In Silico ◽  
Md Simulations ◽  
Accessible Surface Area ◽  
Solvent Accessible Surface Area ◽  
Antidiabetic Activity ◽  
Design Synthesis ◽  
Glucosidase Inhibitors ◽  
In Silico Studies ◽  
Vitro Analysis

Abstract In search for possible antidiabetic agents, a new series of Benzothiazole-Rhodanine derivatives (A1-10) have been synthesized and characterized by spectral data (IR, 1 H-NMR, C 13 -NMR, and HR-MS). All the designed compounds were subjected to In-silico studies using Schrodinger software and evaluated for In-vitro antidiabetic activity by α-amylase and α-glucosidase inhibitory assays. Among the tested compounds A5, A6 and A9 showed good activity when compared to the standard Acarbose. Also, Molecular dynamic (MD) simulations were conducted to evaluate the stability of the ligand-protein complex by the calculation of the root mean of square deviation (RMSD), root mean square fluctuation (RMSF), and solvent accessible surface area (SASA).

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