scholarly journals IN SILICO MODELLING, SYNTHESIS, AND ANTI-DIABETIC EVALUATION OF BENZOTHIAZOLE SUBSTITUTED OXADIAZOLE DERIVATIVES

2021 ◽  
pp. 59-65
Author(s):  
MEENU VIJAYAN ◽  
MANJU PT ◽  
LEYANA PN
Keyword(s):  
Nmr Spectroscopy ◽  
Spectral Methods ◽  
In Silico ◽  
Retention Factor ◽  
13C Nmr Spectroscopy ◽  
Spectral Studies ◽  
Uptake Assay ◽  
Oxadiazole Derivatives ◽  
Methyl Derivatives

Objective: The study contemplates in silico modeling, synthesis and in-vitro anti-diabetic evaluation of benzothiazole substituted oxadiazole derivatives. [{5-[(1, 3-benzothiazol-2-ylsulfanyl) methyl]-1, 3, 4-oxadiazol-2-yl} sulfanyl) methyl] derivatives were synthesized by a conventional method. Methods: All the newly synthesized derivatives were characterized by determining their melting point, retention factor from thin-layer chromatography, and spectral methods (Infrared, 1H NMR spectroscopy, 13C NMR spectroscopy, Mass spectroscopy) and evaluated for their anti-diabetic activity. Results: [{5-[(1, 3-benzothiazol-2-ylsulfanyl) methyl]-1, 3, 4-oxadiazol-2-yl} sulfanyl) methyl] derivatives have been made and characterized using physical and spectral methods. The in-vitro anti-diabetic screening study revealed that BZT1 and BZT4 exhibited high inhibition against glucose uptake assay and alpha-amylase enzyme. But only the derivative BZT4 showed inhibition against alpha-glucosidase enzyme. Conclusion: Various benzothiazole substituted oxadiazole derivatives were synthesized, characterized by spectral studies. The anti-diabetic studies revealed that the synthesized derivatives have significant anti-diabetic properties and further structure-activity relationship studies may develop more potent and less toxic molecules.

scholarly journals NEW PHARMACOLOGICALLY ACTIVE COMPOUNDS BASED ON 5-HYDROXY-7-METHOXY-2-PHENYLCHROMAN-4-ONE

2021 ◽  
Vol 3 ◽  
pp. 119-127
Author(s):  
G.M. Baisarov ◽  
◽  
S.M. Adekenov ◽  
Keyword(s):  
Nmr Spectroscopy ◽  
13C Nmr ◽  
Potassium Carbonate ◽  
13C Nmr Spectroscopy ◽  
1H And 13C Nmr ◽  
Pharmacologically Active ◽  
Pharmacologically Active Compounds ◽  
First Time

The reaction of 5-hydroxy-7-methoxy-2-phenylchroman-4-one with dibromoalkanes in acetone in the presence of potassium carbonate proceeds according to the Michael’s retro-reaction O-alkylation and leads to the formation of the corresponding 2-(bromo-alkoxy) chalcones. The structure of the synthesized compounds was confirmed by IR-, 1H- and 13C-NMR spectroscopy. The cytotoxic, hepatoprotective and anti-inflammatory effects of chalcone derivatives (2-3) were studied for the first time in vitro and in vivo.

Cerebral glucose metabolism and the glutamine cycle as detected by in vivo and in vitro 13C NMR spectroscopy

2004 ◽  
Vol 45 (2-3) ◽  
pp. 297-303 ◽  
Author(s):  
Marı́a A Garcı́a-Espinosa ◽  
Tiago B Rodrigues ◽  
Alejandra Sierra ◽  
Marina Benito ◽  
Carla Fonseca ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Glucose Metabolism ◽  
13C Nmr ◽  
13C Nmr Spectroscopy ◽  
Cerebral Glucose Metabolism

Application of 13C-NMR Spectroscopy to In Vitro Analysis of Enzyme Kinetics

1977 ◽  
Vol 66 (11) ◽  
pp. 1660-1662 ◽  
Author(s):  
H.L. Johnson ◽  
D.W. Thomas ◽  
M. Ellis ◽  
L. Cary ◽  
J.I. DeGraw
Keyword(s):  
Nmr Spectroscopy ◽  
Enzyme Kinetics ◽  
13C Nmr ◽  
13C Nmr Spectroscopy ◽  
Vitro Analysis ◽  
In Vitro Analysis

scholarly journals New oxadiazole derivatives of isonicotinohydrazide in the search for antimicrobial agents: Synthesis and in vitro evaluation

2012 ◽  
Vol 77 (1) ◽  
pp. 9-16 ◽  
Author(s):  
Manav Malhotra ◽  
Mohit Sanduja ◽  
Abdul Samad ◽  
Aakash Deep
Keyword(s):  
Antimicrobial Agents ◽  
Fungal Strain ◽  
Spectral Studies ◽  
Dilution Method ◽  
Mass Spectral ◽  
Oxadiazole Derivatives ◽  
Derivatives Of ◽  
And Staphylococcus Aureus

Structural modification of the front line antitubercular drug isoniazid provide a lipophilic adaptations of the drug in which hydrazide moiety of isoniazid is replaced by 1,3,4-oxadiazole heterocycles to eliminate in-vivo acetylation by arylamine N-acetyltransferase which results to form inactive acetylated drug. In the present study a series of sixteen oxadiazole derivatives were synthesized and characterized by (IR, 1H NMR, 13C NMR and Mass spectral) studies. All the synthesized compounds were evaluated for their antimicrobial activity by broth dilution method against two Gram positive strains (Bacillus subtilis and Staphylococcus aureus), two Gram negative strains (Pseudomonas aeruginosa and Escherichia coli) and fungal strain (Candida albicans and Aspergillus niger). The minimum inhibitory concentration of the compounds was in the range of 1.56-50 ?g ml-1 against bacterial and fungal strain. The results revealed that all synthesized compounds have a significant biological activity against the tested microorganisms. Among the synthesized derivatives 4g, 4h, 4m and 4p were found to be most effective antimicrobial compounds.

scholarly journals In silico and antithrombotic studies of 1,3,4-oxadiazoles derived from benzimidazole

2015 ◽  
Vol 11 (1) ◽  
pp. 67 ◽  
Author(s):  
B. Vishwanathan ◽  
B. M. Gurupadayya ◽  
K. Venkata Sairam
Keyword(s):  
In Silico ◽  
Factor Xa ◽  
Docking Studies ◽  
Negative Control ◽  
Clot Lysis ◽  
Drug Candidate ◽  
Thrombolytic Activity ◽  
Reference Drug ◽  
Oxadiazole Derivatives

<p class="Abstract">In the present study, a series of 1,3,4-oxadiazole derivatives (4a-4k) derived from benzimidazole were docked onto factor Xa (PDB: 1NFY) protein using SYBYLX 2.1. and also evaluated for <em>in vitro</em> clot lysis for thrombolytic activity. The synthesized molecules were also screened for in silico ADME studies. The molecular docking studies highlighted that the molecules showed high affinity towards 1NFY with higher docking score and the <em>in silico</em> ADME results were promising and indicated that the molecules holds great potential as a drug candidate. The thrombolytic evaluation was performed for decrease in solid clot weight by the clot lysis study at a concentration of 6.25, 12.5 and 25 µM strengths, respectively. The results of in vitro clot lysis for thrombolytic evaluation revealed that the tested compounds 4a-4k exhibited significant clot lysis with respect to negative control phosphate buffered saline and in comparison to the reference drug streptokinase (30,000 IU). Among all the tested compounds, compound 4j, 4d and 4g exhibited potent thrombolytic activity with EC<sub>50</sub> value of 16.2, 18.1 and 23.7 µM, respectively. The thrombolytic efficacy investigation highlights that the synthesized compound 4j could be considered for further clinical studies to ascertain its possible hit as thrombolytic agents.</p><p> </p>

scholarly journals Design, Synthesis, Antihyperglycemic Studies, and Docking Simulations of Benzimidazole-Thiazolidinedione Hybrids

2019 ◽  
Vol 2019 ◽  
pp. 1-8 ◽  
Author(s):  
Abraham Gutierréz-Hernández ◽  
Yelzyn Galván-Ciprés ◽  
Elix Alberto Domínguez-Mendoza ◽  
Yoshajandith Aguirre-Vidal ◽  
Samuel Estrada-Soto ◽  
...  
Keyword(s):  
Mrna Expression ◽  
In Silico ◽  
Knoevenagel Condensation ◽  
Binding Mode ◽  
Spectral Studies ◽  
Design Synthesis ◽  
Docking Simulations ◽  
Step Procedure

A simple and cheap three-step procedure for the synthesis of three (5Z)-5-[3(4)-(1H-benzimidazol-2-ylmethoxy)benzylidene]-1,3-thiazolidine-2,4-diones has been described via a SN2 reaction of generally recognized as safe hydroxybenzaldehydes and 2-(chloromethyl)-1H-benzimidazole, followed by a Knoevenagel condensation with thiazolidine-2,4-dione in moderated yields. All the newly synthesized compounds were characterized using analytical and spectral studies. In vitro treatment on adipocytes with compounds increased the mRNA expression of two proteins recognized as strategic targets in diabetes: PPARγ and GLUT-4. In silico studies were conducted in order to explain the interaction binding mode of the synthesized compounds on PPARγ. In vivo studies confirmed that compounds 1–3 have robust antihyperglycemic action linked to insulin sensitization mechanisms. The present study provides three compounds with a promising antidiabetic action.

scholarly journals Synthesis, Characterization and Biological Evaluation of 2,5-di-Substituted 1,3,4-Oxadiazole Derivatives

2014 ◽  
Vol 34 ◽  
pp. 48-54
Author(s):  
Hitesh Makwana ◽  
Yogesh T. Naliapara
Keyword(s):  
Antimicrobial Activity ◽  
Nmr Spectroscopy ◽  
Benzoic Acid ◽  
Phosphorus Oxychloride ◽  
13C Nmr Spectroscopy ◽  
Biological Evaluation ◽  
Plate Method ◽  
Benzoic Acid Derivatives ◽  
Oxadiazole Derivatives ◽  
Anti Fungal

We have reported some novel 1,3,4-oxadiazole synthesized by conventional method .The reaction of 5-bromothiophene-2-carbohydrazide and different benzoic acid derivatives reflux in toluene using phosphorus oxychloride as a catalyst, yielded a series of 2,5-di-substituted 1,3,4-oxadiazole HM-2a to HM-2t. The newly synthesized 2,5-di-substituted 1,3,4-oxadiazole were purified by column chromatography and characterized by IR, Mass, 1H NMR, 13C NMR spectroscopy and elemental analysis. All synthesized compounds were screened for antimicrobial activity using cup plate method. All the compounds showed moderate to good antimicrobial activity and anti fungal activity.

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