Novel synthesis of dihydropyrimidines for α-glucosidase inhibition to treat type 2 diabetes: In vitro biological evaluation and in silico docking

2014 ◽  
Vol 54 ◽  
pp. 96-104 ◽  
Author(s):  
Muhammad Yar ◽  
Marek Bajda ◽  
Lubna Shahzadi ◽  
Sohail Anjum Shahzad ◽  
Maqsood Ahmed ◽  
...  
Keyword(s):  
Type 2 Diabetes ◽  
In Silico ◽  
Biological Evaluation ◽  
In Silico Docking ◽  
Novel Synthesis

Novel polydatin-loaded chitosan nanoparticles for safe and efficient type 2 diabetes therapy: In silico, in vitro and in vivo approaches

2020 ◽  
Vol 154 ◽  
pp. 1496-1504 ◽  
Author(s):  
Adel Abdel-Moneim ◽  
Ahmed El-Shahawy ◽  
Ahmed Ismail Yousef ◽  
Sanaa Mahmoud Abd El-Twab ◽  
Zienab Essam Elden ◽  
...  
Keyword(s):  
Type 2 Diabetes ◽  
In Silico ◽  
Chitosan Nanoparticles ◽  
Diabetes Therapy ◽  
Efficient Type

Pyrano[3,2-c]quinoline Derivatives as New Class of α-glucosidase Inhibitors to Treat Type 2 Diabetes: Synthesis, in vitro Biological Evaluation and Kinetic Study

2019 ◽  
Vol 15 (1) ◽  
pp. 8-16 ◽  
Author(s):  
Zahra Heydari ◽  
Maryam Mohammadi-Khanaposhtani ◽  
Somaye Imanparast ◽  
Mohammad A. Faramarzi ◽  
Mohammad Mahdavi ◽  
...  
Keyword(s):  
Type 2 Diabetes ◽  
Kinetic Study ◽  
Inhibitory Activity ◽  
Cycloaddition Reaction ◽  
Competitive Inhibitor ◽  
Biological Evaluation ◽  
Quinoline Derivatives ◽  
Standard Drug

Background: Pyrano[3,2-c]quinoline derivatives 6a–n were synthesized via simple two-step reactions and evaluated for their in vitro α-glucosidase inhibitory activity. </P><P> Methods: Pyrano[3,2-c]quinoline derivatives 6a–n derivatives were prepared from a two-step reaction: cycloaddition reaction between 1-naphthyl amine 1 and malonic acid 2 to obtain benzo[h]quinoline-2(1H)-one 3 and reaction of 3 with aryl aldehydes 4 and Meldrum’s acid 5. The anti- α-glucosidase activity and kinetic study of the synthesized compounds were evaluated using α-glucosidase from Saccharomyces cerevisiae and p-nitrophenyl-a-D-glucopyranoside as substrate. The α-glucosidase inhibitory activity of acarbose was evaluated as positive control. Results: All of the synthesized compounds, except compounds 6i and 6n, showed more inhibitory activity than the standard drug acarbose and were also found to be non-cytotoxic. Among the synthesized compounds, 1-(2-bromophenyl)-1H-benzo[h]pyrano[3,2-c]quinoline-3,12(2H,11H)-dione 6e displayed the highest α-glucosidase inhibitory activity (IC50 = 63.7 ± 0.5 µM). Kinetic study of enzyme inhibition indicated that the most potent compound, 6e, is a non-competitive inhibitor of α-glucosidase with a Ki value of 72 µM. Additionally, based on the Lipinski rule of 5, the synthesized compounds were found to be potential orally active drugs. Conclusion: Our results suggest that the synthesized compounds are promising candidates for treating type 2 diabetes.

Boerhaavia diffusa inhibits key enzymes linked to type 2 diabetes in vitro and in silico; and modulates abdominal glucose absorption and muscle glucose uptake ex vivo

2018 ◽  
Vol 106 ◽  
pp. 1116-1125 ◽  
Author(s):  
Olajumoke A. Oyebode ◽  
Ochuko L. Erukainure ◽  
Chika I. Chukwuma ◽  
Collins U. Ibeji ◽  
Neil A. Koorbanally ◽  
...  
Keyword(s):  
Type 2 Diabetes ◽  
Glucose Uptake ◽  
In Silico ◽  
Ex Vivo ◽  
Glucose Absorption ◽  
Key Enzymes ◽  
Boerhaavia Diffusa

scholarly journals Potential DPP IV Inhibitory Peptides from Dry-Cured Pork Loins after Hydrolysis: An In Vitro and In Silico Study

2021 ◽  
Vol 43 (3) ◽  
pp. 1335-1349
Author(s):  
Paulina Kęska ◽  
Joanna Stadnik
Keyword(s):  
Type 2 Diabetes ◽  
In Silico ◽  
Soluble Fraction ◽  
Water Soluble ◽  
Inhibitory Peptides ◽  
Dpp Iv ◽  
In Silico Study ◽  
Potential Inhibitors

Peptidyl peptidase IV (DPP-IV) is a pharmacotherapeutic target in type 2 diabetes, and inhibitors of this enzyme are an important class of drugs for the treatment of type 2 diabetes. In the present study, peptides (<7 kDa) isolated from dry-cured pork loins after pepsin and pancreatin hydrolysis were identified by mass spectrometry and tested as potential inhibitors of DPP-IV by the in silico method. Two peptides, namely WTIAVPGPPHS from myomesin (water-soluble fraction, A = 0.9091) and FKRPPL from troponin (salt-soluble fraction, A = 0.8333), were selected as the most promising inhibitors of DPP-IV. Both peptides were subjected to ADMET analysis. Fragments of these peptides showed promising drug-likeness properties as well as favorable absorption, distribution, metabolism, excretion, and toxicity functions, suggesting that they are novel leads in the development of DPP-IV inhibitors from food.

2-Furoic piperazide derivatives as promising drug candidates of type 2 diabetes and Alzheimer’s diseases: In vitro and in silico studies

2018 ◽  
Vol 77 ◽  
pp. 72-86 ◽  
Author(s):  
Muhammad Athar Abbasi ◽  
Mubashir Hassan ◽  
Aziz ur-Rehman ◽  
Sabahat Zahra Siddiqui ◽  
Ghulam Hussain ◽  
...  
Keyword(s):  
Type 2 Diabetes ◽  
In Silico ◽  
Drug Candidates ◽  
In Silico Studies ◽  
Alzheimer’S Diseases ◽  
Alzheimer's Diseases

2,4-Dioxochroman Moiety Linked to 1,2,3-triazole Derivatives as Novel α-glucosidase Inhibitors: Synthesis, In vitro Biological Evaluation, and Docking Study

2020 ◽  
Vol 24 (17) ◽  
pp. 2019-2027 ◽  
Author(s):  
Marjan Mollazadeh ◽  
Maryam Mohammadi-Khanaposhtani ◽  
Yousef Valizadeh ◽  
Afsaneh Zonouzi ◽  
Mohammad Ali Faramarzi ◽  
...  
Keyword(s):  
In Silico ◽  
Click Reaction ◽  
Docking Study ◽  
Competitive Inhibitor ◽  
Biological Evaluation ◽  
Binding Energies ◽  
Standard Drug ◽  
In Silico Docking ◽  
Glucosidase Inhibitors

In this study, a novel series of 2,4-dioxochroman-1,2,3-triazole hybrids 8a-l was synthesized by click reaction. These compounds were screened against α-glucosidase through in vitro and in silico evaluations. All the synthesized hybrids exhibited excellent α-glucosidase inhibition in comparison to standard drug acarbose. Representatively, 3-((((1-(3,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methylene)chroman-2,4- dione 8h with IC50 = 20.1 ± 1.5 μM against α-glucosidase, was 37-times more potent than acarbose. Enzyme kinetic study revealed that compound 8h was a competitive inhibitor against α-glucosidase. In silico docking study on chloro derivatives 8h, 8g, and 8i were also performed in the active site of α -glucosidase. Evaluations on obtained interaction modes and binding energies of these compounds confirmed the results obtained through in vitro α-glucosidase inhibition.

Discovery of novel cinnamylidene-thiazolidinedione derivatives as PTP-1B inhibitors for the management of type 2 diabetes

RSC Advances ◽  
2016 ◽  
Vol 6 (110) ◽  
pp. 108928-108940 ◽  
Author(s):  
Suresh Thareja ◽  
Sant K. Verma ◽  
Diksha Haksar ◽  
Tilak R. Bhardwaj ◽  
Manoj Kumar
Keyword(s):  
Type 2 Diabetes ◽  
Binding Affinity ◽  
In Silico ◽  
3D Qsar ◽  
Biological Evaluation ◽  
Binding Affinity Prediction ◽  
Affinity Prediction ◽  
Qsar Studies ◽  
Ptp 1B

Synthesis, biological evaluation,in silicobinding affinity prediction and 3D-QSAR studies of cinnamylidene-thiazolidinedione derivatives was performed as inhibitors of PTP-1B.

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