Synthesis of new benzimidazole and phenylhydrazinecarbothiomide hybrids and their anticonvulsant activity

Siddiqui, Nadeem; Alam, Md Shamsher; Ali, Rahmat; Yar, Mohammad Shahar; Alam, Ozair

doi:10.1007/s00044-016-1570-6

Cited by 35 publications

(8 citation statements)

References 23 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Alternatively the MM-GBSA results may be procured running the MM-GBSA program directly from the file generated by running the docking protocol. The docking score, binding free energy and hydrogen bonds and pi-pi interaction formed with the surrounding amino acids are used to envisage their binding affinities and proper alignment of these compounds at the active site of the Nrf2-DNA [34].…”

Section: Molecular Docking and Mm-gbsa Binding Free Energymentioning

confidence: 99%

Rosuvastatin alleviates high-salt and cholesterol diet-induced cognitive impairment in rats via Nrf2–ARE pathway

et al. 2018

View full text Add to dashboard Cite

Objective: The objectives of our study were to investigate the possible effect of rosuvastatin in ameliorating high salt and cholesterol diet (HSCD)-induced cognitive impairment and to also investigate its possible action via the Nrf2-ARE pathway. Methods: In silico studies were performed to check the theoretical binding of rosuvastatin to the Nrf2 target. HSCD was used to induce cognitive impairment in rats and neurobehavioral studies were performed to evaluate the efficacy of rosuvastatin in enhancing cognition. Biochemical analyses were used to estimate changes in oxidative markers. Western blot and immunohistochemical analyses were done to check Nrf2 translocation. TUNEL and caspase 3 tests were performed to evaluate reversal of apoptosis by rosuvastatin. Results: Rosuvastatin showed good theoretical affinity to Nrf2, significantly reversed changes in oxidative biomarkers which were induced by HSCD, and also improved the performance of rats in the neurobehavioral test. A rise in nuclear translocation of Nrf2 was revealed through immunohistochemical analysis and western blot. TUNEL staining and caspase 3 activity showed attenuation of apoptosis. Discussion: We have investigated a novel mechanism of action for rosuvastatin (via the Nrf2-ARE pathway) and demonstrated that it has the potential to be used in the treatment of cognitive impairment. KEYWORDSCognitive impairment; rosuvastatin; high-salt and cholesterol diet; oxidative stress; Nrf2; nuclear factor (erythroid-derived 2)-like 2

show abstract

Section: Molecular Docking and Mm-gbsa Binding Free Energymentioning

confidence: 99%

Rosuvastatin alleviates high-salt and cholesterol diet-induced cognitive impairment in rats via Nrf2–ARE pathway

et al. 2018

View full text Add to dashboard Cite

show abstract

“…Thiosemicarbazide moiety bearing compounds have been considered as biologically important since their wide range of reported biological activity such as antibacterial, [41,42] antifungal, [43] antitubercular, [44] anticonvulsant, [45] anticancer, [46,47] cytotoxic [42] and antioxidant [48] . Thiosemicarbazide moiety is not only important because of their potential activity but also their ability to be used as starting compounds for the synthesis of diverse biologically potent moieties such as 1,2,4-triazole-3-thiones, [48] 4-thiazolidinones, [49] 1,3,4-oxadiazoles [11] and 1,3,4-thiadiazoles.…”

Section: Introductionmentioning

confidence: 99%

Design, synthesis, characterization and antimicrobial evaluation of some novel hydrazinecarbothioamide, 4‐thiazolidinone and 1,2,4‐triazole‐3‐thione derivatives

Dincel

Ulusoy‐Güzeldemirci

Şatana

et al. 2020

Journal of Heterocyclic Chem

View full text Add to dashboard Cite

A series of novel hydrazinecarbothioamide (5a,c,f), 4‐thiazolidinone (6a‐e), and 1,2,4‐triazole‐3‐thione (7a‐d) were designed and synthesized. The structural elucidations of the novel compounds were performed by IR, 1H‐NMR, 13C‐NMR, mass and elemental analysis. All novel derivatives were evaluated for their antibacterial and antifungal activities against nine diverse microorganisms. According to the biological activity studies of the compounds, 6d, 7c and 7d displayed hope promising antibacterial activity. Furthermore, 6d displayed potent antifungal activity. Consequently, the obtained results revealed that 6d, 7c and 7d present a leading structure for future drug development due to its straightforward synthesis and relevant bioactivity.

show abstract

“…Molecular docking and Prime MMGBSA 19 Computations of all synthetic derivatives were carried by Schrodinger programme Maestro 9.0, New York, USA on PDB ID-1FM9 which is PPAR-γ crystal taken from RCSB. The interpretations of different means of binding of new entities with cavities of the receptor were done.…”

Section: In Silico Computational Studies Adsorption Distribution Metabolism and Excretion Property Prediction: Lipinski Screening Testmentioning

confidence: 99%

Newly Synthesized Oxadiazole Based Mannich Base Derivatives of Fatty Acid: in Silico Study and in Vivo Anti-Hyperglycaemic Estimation

et al. 2018

View full text Add to dashboard Cite

A receptor peroxisome proliferator activated receptor-gamma was targeted by series of new fatty acid chemical entities (M1- M22) which was designed, synthesized and characterized by spectral analysis. Metabolites molecular properties were calculated using Lipinski’s rule of five using molinspiration online software. Docking studies were done on co-crystallized protein structure of PPAR γ, PDB-1FM9 showing M15, M17 and M8 to be best located in the active sites with scores -10.43, -10.21 and -10.00 respectively. The free binding energy estimation was done using model of Maestro 9.0 (Schrodinger) and lies between -80.15 to -61.26 kcal/mol which is significant as compared to that of standard (-48.58 Kcal/mol). Nine best docked derivatives were evaluated in-vivo for oral glucose tolerance and antihyperglycemic activity by streptozotocin induced diabetes model and M15 exhibited most promising antidiabetic activity more than the standard glibenclamide. The promising results encourage future investigation on fatty acids for development of active compounds.

show abstract

Synthesis of new benzimidazole and phenylhydrazinecarbothiomide hybrids and their anticonvulsant activity

Cited by 35 publications

References 23 publications

Rosuvastatin alleviates high-salt and cholesterol diet-induced cognitive impairment in rats via Nrf2–ARE pathway

Rosuvastatin alleviates high-salt and cholesterol diet-induced cognitive impairment in rats via Nrf2–ARE pathway

Design, synthesis, characterization and antimicrobial evaluation of some novel hydrazinecarbothioamide, 4‐thiazolidinone and 1,2,4‐triazole‐3‐thione derivatives

Newly Synthesized Oxadiazole Based Mannich Base Derivatives of Fatty Acid: in Silico Study and in Vivo Anti-Hyperglycaemic Estimation

Contact Info

Product

Resources

About