Diazaspiro-iminosugars and polyhydroxylated spiro-bislactams: synthesis, glycosidase inhibition and molecular docking studies

RSC Advances ◽  
2015 ◽  
Vol 5 (65) ◽  
pp. 52907-52915 ◽  
Author(s):  
Vijay Singh Parihar ◽  
Nitin J. Pawar ◽  
Sougata Ghosh ◽  
Balu Chopade ◽  
Navanath Kumbhar ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
New Class ◽  
Glycosidase Inhibition

Synthesis of a new class of iminosugars 1–4 has been reported.

scholarly journals A new class of potential antidiabetic acetohydrazides: Synthesis, in vivo antidiabetic activity and molecular docking studies

2017 ◽  
Vol 12 (3) ◽  
pp. 319 ◽  
Author(s):  
Mubeen Arif ◽  
Furukh Jabeen ◽  
Aamer Saeed ◽  
Irfan Zia Qureshi ◽  
Nadia Mushtaq
Keyword(s):  
Molecular Docking ◽  
Video Clip ◽  
Docking Studies ◽  
Antidiabetic Activity ◽  
Molecular Docking Studies ◽  
H Nmr ◽  
New Class ◽  
Full Screen ◽  
Pharmacologically Active

<p class="Abstract">Two new pharmacologically active series of tetrazolopyridine-acetohydrazide conjugates [9 (a-n), 10 (a-n)] were synthesized by reacting a variety of suitably substituted benzaldehydes and isomeric 2-(5-(pyridin-3/4-yl)-2H-tetrazol-2-yl)acetohydrazides (7, 8). The synthesized compounds were analyzed through FTIR, <sup>1</sup>H NMR, <sup>13</sup>C NMR and elemental techniques. These acetohydrazides were screened for their in vivo antidiabetic activity and molecular docking studies. An excellent agreement was obtained as the best docked poses show-ed important binding features mostly based on interactions due to an oxygen atom and aromatic moieties of the series. The compounds 9a, 9c and 10l were found to be the most active in lowering blood glucose, having the potential of being good antidiabetic agents.</p><p><strong>Video Clip of Methodology</strong>:</p><p>Synthesis of 3/4-(2H-tetrazole-5-yl)pyridine: 1 min 57 sec   <a href="https://www.youtube.com/v/CHp8HxlEa2M">Full Screen</a>   <a href="https://www.youtube.com/watch?v=CHp8HxlEa2M">Alternate</a></p>

scholarly journals Aryl butenoic acid derivatives as a new class of histone deacetylase inhibitors: synthesis, in vitro evaluation, and molecular docking studies

2014 ◽  
Vol 38 ◽  
pp. 338-344 ◽  
Author(s):  
Peruze AYHAN EŞİYOK ◽  
Özlem SEVEN ◽  
Gülüzar EYMUR ◽  
Gamze BORA TATAR ◽  
Didem DAYANGAÇ ERDEN ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Histone Deacetylase ◽  
Histone Deacetylase Inhibitors ◽  
Docking Studies ◽  
In Vitro Evaluation ◽  
Molecular Docking Studies ◽  
New Class ◽  
Butenoic Acid

α-Geminal disubstituted pyrrolidine iminosugars and their C-4-fluoro analogues: Synthesis, glycosidase inhibition and molecular docking studies

2017 ◽  
Vol 25 (19) ◽  
pp. 5148-5159 ◽  
Author(s):  
Kishor S. Gavale ◽  
Shrawan R. Chavan ◽  
Navanath Kumbhar ◽  
Sonali Kawade ◽  
Pooja Doshi ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Glycosidase Inhibition

Synthesis and In-silico identification of new bioactive 1,3,4-oxadiazole tagged 2,3-dihydroimidazo[1,2-a]pyridine derivatives

2020 ◽  
Vol 16 ◽  
Author(s):  
Bhagwat S. Jadhav ◽  
Vipul P. Purohit ◽  
Ramesh S. Yamgar ◽  
Rajesh S. Kenny ◽  
Suraj N. Mali ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Activity ◽  
In Silico ◽  
Antitubercular Activity ◽  
Docking Studies ◽  
Pyridine Derivatives ◽  
Molecular Docking Studies ◽  
New Class ◽  
In Silico Molecular Docking

Background: Tuberculosis (TB) continues to be the most threatening cause of death in recent years. There is urgent need of search more potent, less toxic antitubercular agents. Methods: A set of five new 1,3,4-oxadiazolyl-imidazo-1,2-pyridine derivatives (4a-4e) was synthesized and screened invitro for their antibacterial activity against Mycobacterium tuberculosis (H37 RV strain) ATCC No-27294. Results: Compound 4b displayed potent antitubercular activity at MIC 6.25 µg/mL. In-silico molecular docking studies were performed for evaluation of the binding patterns of compounds 4a-4e in the binding site of proteins like, Pantothenate synthatase and enoyl acyl reductase inhibitor. The outcomes of the in- vitro antitubercular studies were in well agreement with the molecular docking studies. These newly synthesized compounds were found to have good ADMET profile. We also explored possible anticancer activity using in-silico methods. Conclusion: These results shows that readily synthesized 1,3,4-oxadiazolyl-imidazo-1,2-pyridine derivatives (4a-4e) are attracting new class of potent anti-TB targets as well as possible anticancer activity that worth additional opportunities for improvements.

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