Molecular Docking Studies, Synthesis, Toxicological Evaluation using Brine Shrimp (Artemia salina L.) Model and Anti-inflammatory Activity of Some 
N-(substituted)-5-phenyl-1,3,4-thiadiazol-2-amine Derivatives

Bhosale, Mayuri V.; Yadav, Akshay R.; Magdum, C. S.; Mohite, Shrinivas K.

doi:10.32628/ijsrst207515

Cited by 5 publications

(4 citation statements)

References 24 publications

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“…Biological proteins lose their biological function when they are denatured. Therefore, a ligand's capacity to prevent protein denaturation denotes the possibility of anti-inflammatory activity [36,37]. Albumin denaturation assay clearly showed anti-inflammatory properties.…”

Section: Albumin Denaturation Assaymentioning

confidence: 99%

Novel Derivatives of Eugenol as a New Class of PPARγ Agonists in Treating Inflammation: Design, Synthesis, SAR Analysis and In Vitro Anti-Inflammatory Activity

et al. 2023

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The main objective of this research was to develop novel compounds from readily accessed natural products especially eugenol with potential biological activity. Eugenol, the principal chemical constituent of clove (Eugenia caryophyllata) from the family Myrtaceae is renowned for its pharmacological properties, which include analgesic, antidiabetic, antioxidant, anticancer, and anti-inflammatory effects. According to reports, PPARγ regulates inflammatory reactions. The synthesized compounds were structurally analyzed using FT-IR, 1HNMR, 13CNMR, and mass spectroscopy techniques. Molecular docking was performed to analyze binding free energy and important amino acids involved in the interaction between synthesized derivatives and the target protein. The development of the structure–activity relationship is based on computational studies. Additionally, the stability of the best-docked protein–ligand complexes was assessed using molecular dynamic modeling. The in-vitro PPARγ competitive binding Lanthascreen TR-FRET assay was used to confirm the affinity of compounds to the target protein. All the synthesized derivatives were evaluated for an in vitro anti-inflammatory activity using an albumin denaturation assay and HRBC membrane stabilization at varying concentrations from 6.25 to 400 µM. In this background, with the aid of computational research, we were able to design six novel derivatives of eugenol synthesized, analyzed, and utilized TR-FRET competitive binding assay to screen them for their ability to bind PPARγ. Anti-inflammatory activity evaluation through in vitro albumin denaturation and HRBC method revealed that 1f exhibits maximum inhibition of heat-induced albumin denaturation at 50% and 85% protection against HRBC lysis at 200 and 400 µM, respectively. Overall, we found novel derivatives of eugenol that could potentially reduce inflammation by PPARγ agonism.

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Section: Albumin Denaturation Assaymentioning

confidence: 99%

Novel Derivatives of Eugenol as a New Class of PPARγ Agonists in Treating Inflammation: Design, Synthesis, SAR Analysis and In Vitro Anti-Inflammatory Activity

et al. 2023

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“…HIV [26], antimicrobial inflammatory [28], anti-tuberculosis [29], bacterial [30], antioxidant [31], anticancer [32], as well as CNS depressant and anticonvulsant…”

Section: New Seriesmentioning

confidence: 99%

“…A brief survey on the biological activities of 1,3,4 thiadiazole scaffolds showed antiviral [24], antidepressant [25], anti-HIV [26], antimicrobial [27], anti-inflammatory [28], anti anti-bacterial [30], antioxidant [31], anticancer [32], as well as CNS depressant and anticonvulsant [33,34].…”

Section: Introductionmentioning

confidence: 99%

Synthesis and evaluation of antibacterial and antifungal activity of new series of thiadiazoloquinazolinone derivatives.

2021

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A facile and convenient synthesis of 1,3,4 acid with maleic anhydride, which upon reaction with glycine afforded 3 with thiosemicarbazide and produced 1,3,4 (13) is used as a key compound in synthesizing of triazolyl benzoxazinoneheterocyclesby reaction with phenyl hydrazine, glycine and urea and/ or thiourea, respectively. Evaluation of antimicrobial activity of some of the synthesized compounds against selected bacteria and fungi strains in comparison with Ampicillin as antibacterial agent and Amphotericin B as antifungal agent exhibited promising activity as compared to the references. The structures of the synthesized compounds were confirmed on the basis of their elemental analyses as well as spectral data (IR, MS and 1H NMR).

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“…This affects older. Lung and liver tumours account for the majority of disease-related fatalities 2 . Developing efficient and safe chemotherapeutic drugs in cancer treatment is extremely difficult for medicinal chemists.…”

Section: Introductionmentioning

confidence: 99%

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2022

IJPSR

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Background: Cancer is one of the deadly diseases, accounting for nearly 10 million deaths every year. Cancer is one of the leading dreadful conditions which most people. Cancer is may due to genetic change, which interferes with normal growth mechanisms. A mutant cell divides and produces abnormal masses. Cancer cells can break away from the mass (or tumour) and travel via the bloodstream or lymphatic system to different body parts. These cells can settle in other body parts to form secondary cancer or metastasis. Various approaches have been introduced to eradicate cancer. Objective: In this literature, we aim to study the In Silico molecular docking for Thiadiazole derivative with an anti-tumor receptor. Methodology:We have used Argus lab software for molecular docking. Ligand is prepared using Chemsketch software and proteins are prepared using Chimera software. Main Observation: our study shows that the binding value lies between -9.7 to -7, and hydrogen bonds are formed. Conclusion:Our study concludes that the Thiadiazole derivative forms good binding affinity with chosen receptors and suggests it can be further developed in future studies.

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Molecular Docking Studies, Synthesis, Toxicological Evaluation using Brine Shrimp (Artemia salina L.) Model and Anti-inflammatory Activity of Some N-(substituted)-5-phenyl-1,3,4-thiadiazol-2-amine Derivatives

Cited by 5 publications

References 24 publications

Novel Derivatives of Eugenol as a New Class of PPARγ Agonists in Treating Inflammation: Design, Synthesis, SAR Analysis and In Vitro Anti-Inflammatory Activity

Novel Derivatives of Eugenol as a New Class of PPARγ Agonists in Treating Inflammation: Design, Synthesis, SAR Analysis and In Vitro Anti-Inflammatory Activity

Synthesis and evaluation of antibacterial and antifungal activity of new series of thiadiazoloquinazolinone derivatives.

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