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In silico investigation and molecular docking study of triazolo-thiadiazole derivatives for antimicrobial, anti-inflammatory and anti-diabetic activity

By: Contributor(s): Publication details: Karnataka Association of Pharmaceutical Teachers of India (APTI) 2021Edition: Vol.55(4), Oct-DecDescription: 1125-1144pSubject(s): Online resources: In: Indian journal of pharmaceutical education and researchSummary: Triazolo-thiadiazole and connected fused ring in heterocyclic compounds are of highly interest in potential bioactive molecules. Triazolo-thiadiazole derivatives have lead of organic chemists due to their good biological and chemotherapeutic significance. Research in the field of anti-mycobacterium, anti-inflammatory, anti-diabetic and anti- microbial therapies are ongoing and studies are seeking. Therefore, the discovery of new effective anti-mycobacterium, anti-inflammatory, anti-diabetic and antimicrobial agents are imperative. Swiss programs are used to predict Triazolo-thiadiazole derivatives properties that are important for drug profile. Later, all of them were docked into the active sites of enzymes namely Ribosomal RNA large subunit methyltransferase (1P91), PeriplasmicOligopeptide-Binding Protein (1B05) and Protein-tyrosine phosphatase, non-receptor type 1 (1q6s), those were considered in Antidiabetic studies of triazolo- thiazazole derivative. Docking study when compared with Triazolo-thiadiazole derivatives with standard drug, derivative docking result is better. Ciprofloxacin, ibuprofen, and acarbose have been used as standard drugs for antimicrobial, anti-inflammatory and anti- diabetic activity in comparative docking studies.
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Triazolo-thiadiazole and connected fused ring in heterocyclic compounds are of highly interest in potential bioactive molecules. Triazolo-thiadiazole derivatives have lead of organic chemists due to their good biological and chemotherapeutic significance. Research in the field of anti-mycobacterium, anti-inflammatory, anti-diabetic and anti- microbial therapies are ongoing and studies are seeking. Therefore, the discovery of new effective anti-mycobacterium, anti-inflammatory, anti-diabetic and antimicrobial agents are imperative. Swiss programs are used to predict Triazolo-thiadiazole derivatives properties that are important for drug profile. Later, all of them were docked into the active sites of enzymes namely Ribosomal RNA large subunit methyltransferase (1P91), PeriplasmicOligopeptide-Binding Protein (1B05) and Protein-tyrosine phosphatase, non-receptor type 1 (1q6s), those were considered in Antidiabetic studies of triazolo- thiazazole derivative. Docking study when compared with Triazolo-thiadiazole derivatives with standard drug, derivative docking result is better. Ciprofloxacin, ibuprofen, and acarbose have been used as standard drugs for antimicrobial, anti-inflammatory and anti- diabetic activity in comparative docking studies.

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