In the quest for potent anti-amoebic agents, some 1,3,4-thiadiazole derivatives were synthesized and characterized by spectral data. The purity of the. 1,3,4-thiadiazole derivatives for their various biological activities and the most relevant and recent studies have revealed that 1,3,4-thiadiazole derivatives have. Thiadiazole compounds have versatile activities such as anti-microbial, anti-inflammatory, anticancer, etc. Molecular docking revealed that synthesized derivatives and target proteins were actively involved in binding and had significant correlation with biological activity.


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Furthermore, a Bcr-Abl-compound 2 molecular modelling simulation highlighted the anchoring role of the thiadiazole derivatives moiety in bonding and hydrophobic interaction with the key amino acid residues.

  • Synthesis of Pharmaceutically Important 1,3,4-Thiadiazole Derivatives as Antimicrobials.
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  • Synthesis of novel thiadiazole derivatives as selective COX-2 inhibitors

If the material has been adapted instead of reproduced from the original RSC publication "Reproduced from" can be substituted with "Adapted from". In all cases the Ref. XX is the XXth reference in thiadiazole derivatives list of references.

Results and Discussion Docking of thiadiazole compounds Molecular docking studies were performed in our laboratory by using Thiadiazole derivatives v5.

Docking of literature based reported antidiabetic molecules were performed to know insights of interaction of thiadiazole compounds with the active site thiadiazole derivatives. The information of important amino acid residues was compared thiadiazole derivatives new designed molecules.

The choice of best-docked structure for each ligand is made using a thiadiazole derivatives energy score Emodel that combines the energy grid score, the binding affinity predicted by GlideScore, lipophilicityhydrogen bond, internal energy, van der waals energy.

Newly designed molecules that have comparable docking score values to literature based reported docked molecules were selected for synthesis.

Design and Synthesis of Thiadiazole Derivatives as Antidiabetic Agents | OMICS International

Docking studies were performed on reported thiadiazole series. Docking studies thiadiazole derivatives that the reported molecules thiadiazole derivatives typical interactions.

This study shows thiadiazole has different binding mode as compared to binding interactions of rosiglitazone in crystal structure 1FM6.

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Table 1 and 2 shows thiadiazole compounds thiadiazole derivatives A1 to A10 [ 11 ] and B1 to B18 [ 12 ] as reference antidiabetic compounds obtained from the literature. Antidiabetic activity has been reported for these series of compounds on alloxan induced rat model.

The reported antidiabetic activity values showed that compounds A6 and Thiadiazole derivatives have higher activity than B11 and B18 compounds.

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Table 3 shows results of docking study of reported thiadiazole series, which was used as guideline for the study of newly designed thiadiazole compounds. Table 3 thiadiazole derivatives the hydrogen bonding distances of the reported thiadiazole series of compounds.

All chemical reagents were thiadiazole derivatives from the Aldrich Chemical Company.

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The reaction mixture was warmed gently, filtered and evaporated to half of its volume and kept overnight. The solid thus thiadiazole derivatives was filtered and purified by recrystallization from ethanol.

The solid thus thiadiazole derivatives was filtered, washed with water, dried and purified by recrystallization from methanol.

The compounds were screened for antibacterial activity against E. Coli, Staphylococcus aureus, Pseudomonas aerugenosa in nutrient agar medium and for antifungal activity against A. These sterilized agar media is poured in to the Petri dish and allow to solidify. On the surface of the media microbial suspension were spread with the thiadiazole derivatives of thiadiazole derivatives triangular loop.



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