Faculty Publications
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Publications by NITK Faculty
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Item Click chemistry approach: Regioselective one-pot synthesis of some new 8-trifluoromethylquinoline based 1,2,3-triazoles as potent antimicrobial agents(2014) Garudachari, B.; Isloor, A.M.; Satyanarayana, M.N.; Fun, H.-K.; Hegde, G.Three series of 8-trifluoromethylquinoline based 1,2,3-triazoles derivatives (5a-c, 6a-d and 7a-c) were synthesized by multi-step reactions by click chemistry approach. Synthesized compounds were characterized by spectral studies and X-ray analysis. The final compounds were screened for their in-vitro antimicrobial activity by well plate method (zone of inhibition). Compounds 5c, 6b, 8b, 11 and 12 were found to be active against tested microbial strains. The results are summarized in Tables 5 and 6. © 2014 Elsevier Ltd. All rights reserved.Item Catalytic Synthesis of Xanthene and Unprecedented Evolution of Naphthopyrans Using Heteropoly Acid-Tantalum(V) Oxide Hybrid Composite as Promoter(John Wiley and Sons Inc, 2025) Mahapatra, J.; Dastidar, S.G.; Jagankar, D.; Roy, N.; Sharma, J.; Mukherjee, A.; Maity, C.; Panda, T.K.; Mal, S.S.Xanthene derivatives are prepared by using tantalum(V) oxide (Ta2O5)-supported heteropoly acid (HPA), Keggin 12-phosphotungstic acid (PTA)-based heterogeneous catalyst PTA@Ta2O5 under neat conditions. The composite is prepared by the wetness impregnation method and is characterized by various techniques. Under optimized conditions, xanthenes are synthesized with prominent yields in remarkably short reaction times. The green chemistry metrics are appraised for the xanthene reaction. Surprisingly, a few novel naphthopyran derivatives are isolated instead of the conventional xanthene derivatives when cinnamaldehyde analogous are introduced under the same reaction protocol. Unprecedented naphtho[2,1-b]pyran-type derivatives of 3m, 3n, and 3o are isolated, depending on the specific substituted cinnamaldehyde used, and interestingly, the nature of the substituent in cinnamaldehyde decides the different reaction pathways leading to the formation of respective pyrans. Diverse possible mechanisms are encountered with the PTA@Ta2O5 catalyst based on the respective transformations. The solid-state structures of xanthenes and naphthopyrans are thoroughly investigated. Furthermore, some derivatives are studied in vitro to assess their antimicrobial activity, and the findings are compared with those of reference standard antibiotics. © 2025 Wiley-VCH GmbH.Item Synthesis, Characterization, Computational, and Photophysical Investigation of Novel Pyran-Azo Bridged Benzothiazoles and Their Biological Studies(John Wiley and Sons Inc, 2025) Vinay, K.K.; Bodke, Y.D.; Naik, S.; Udayakumar, U.In this study, we reported the synthesis of novel heterocyclic azo dyes 4(a-h) by the conventional diazo-coupling reaction of 4-hydroxy-6-methyl-2-pyrone with various benzothiazole amines. The molecular structures of the target molecules were precisely assessed using different spectroscopic (FT-IR, NMR, and HRMS) studies. Through density functional theory (DFT) study, molecular geometry, frontier molecular orbitals, global reactivity parameters, and molecular electrostatic potential regions were investigated to explore the electronic properties of azo dyes. The in vitro antimycobacterial screening of target compounds was tested against M. tuberculosis, and the results showed that compounds 4b and 4e exhibited promising activity with MIC of 3.25 µg mL?1. Compound 4b exhibited significant activity against S. aureus and S. mutans, with MIC values of 0.0195 and 0.625 mg mL?1, respectively. Compounds 4b and 4e exhibited similar sensitivity to the tested fungal strain A. niger, with a MIC of 0.0195 mg mL?1. The in silico molecular docking study was conducted against the receptor enoyl-ACP reductase to evaluate the binding affinity of the target compounds; derivatives 4b and 4e showed the highest docking scores of ?9.2 and ?9.1 kcal mol?1, respectively. Furthermore, the active compounds 4b and 4e exhibited low cytotoxicity, and none of them posed harm to normal cells. © 2025 Wiley-VCH GmbH.
