Sri Padmavathi School of Pharmacy, Tiruchanoor, Tirupathi-517503, Andhra Pradesh, India
Objectives: It is to demonstrate that a heterocyclic derivatives acts as magic moiety in antagonizing numerous undesirable diseases. Intact the 1,5-Benzothiazepine is a six member benzene ring condensed to a hetero seven member ring shows a various pharmacological properties in the field of medicine. Material and methods: The molecular design for the depicted compounds is identified for its ADME properties and drug likeliness is studied using “Mcule” a software tool available online. Further the selected compounds are prepared in wet lab, a series of substituted Benzothiazepine are prepared by cyclo condensation of α, β-unsaturated ketones (chalcones) with O-amino thiophenol under the influence of glacial acetic acid. Structural characterization and in-vitro anti-inflammatory (by Protein denaturation inhibition) and anti-oxidant (by H2O2 scavenging activity) activity are performed with slight revising the procedure. From the obtain result the docking process made on target Leukotriene-C4 synthase (LTC4S) enzyme need for synthesis of leukotriene C4 from arachidonic acid to produce inflammatory response on bronchial asthma and another target Peroxisome proliferator-activated receptor alpha (PPARA) need for metabolism of TG and fatty acid to generate energy, cholesterol and LDL synthesis. Results: Some of the compound code BTP-3 and BTP-5 shows appreciable ligand-target interaction with glide score of -11.2 and -10.8 ΔG, kcal/mol on PDB-2uuh (LTC4S) compound BTP-5 and BTP-2 shows glide score of -11.8 & -10.8 ΔG, kcal/mol on PDB- 1kkq (PPARA) target. All compounds shows good probability of physico-chemical property as per “Lipinski rule of five”. Compound BTP-5, 6 and 7 shows significant in-vitro activity studies on anti-inflammatory and anti-oxidant activity as compared with standard drug as show in respective histogram. Conclusion: 1, 5-Benzothiazepine derivatives shows a prominent activity by in-silico and in-vitro model, from this it is considered as potent pharmacophore moiety for drug development studies and used for in-vivo evaluation studies by standard methods.