Search Results - "Sheshagiri R. Dixit"
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Enoyl ACP reductase as effective target for the synthesized novel antitubercular drugs: a-state-of-the-art
Published in Mini reviews in medicinal chemistry (01-01-2014)“…The emergence of drug resistant strains of important human pathogens has created an urgent necessity to find new targets and novel antitubercular agents…”
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Synthesis, characterization and molecular docking studies of substituted 4-coumarinylpyrano[2,3-c]pyrazole derivatives as potent antibacterial and anti-inflammatory agents
Published in European journal of medicinal chemistry (05-01-2017)“…A green, eco-friendly and efficient protocol has been developed and synthesized a series of coumarin based pyrano[2,3-c]pyrazole derivatives (3) by…”
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One pot Click chemistry: A three component reaction for the synthesis of 2-mercaptobenzimidazole linked coumarinyl triazoles as anti-tubercular agents
Published in Bioorganic & medicinal chemistry letters (01-10-2016)“…[Display omitted] •One pot synthesis and characterization of mercapto-coumarinyl triazoles.•Formation of 1,4 isomer under Cu(I) Click…”
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Synthesis and in vitro anticancer activity of 6-chloro-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one derivatives: molecular docking and interaction with bovine serum albumin
Published in Journal of Taibah University for Science (01-01-2018)“…A novel series of 6-chloro-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one derivatives were synthesized. Structure of the newly synthesized compounds was…”
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Synthesis, molecular modeling and BACE-1 inhibitory study of tetrahydrobenzo[b] pyran derivatives
Published in Bioorganic chemistry (01-03-2019)“…[Display omitted] •Small organic molecules were found to be effective inhibitors of BACE-1 enzyme.•Tetrahydrobenzo[b]pyrans were targeted for the BACE-1 enzyme…”
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Interaction of Hydralazine with Human Serum Albumin and Effect of β‑Cyclodextrin on Binding: Insights from Spectroscopic and Molecular Docking Techniques
Published in Industrial & engineering chemistry research (18-05-2016)“…Biomolecular interaction of hydralazine with human serum albumin (HSA) was studied by fluorescence, ultravoilet, three-dimensional, synchronous, Fourier…”
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Virtual Screening of Alkaloids and Flavonoids as Acetylcholinesterase and MAO-B Inhibitors by Molecular Docking and Dynamic Simulation Studies
Published in Polycyclic aromatic compounds (03-07-2023)“…The neuroprotective actions of flavonoids and alkaloids have been reported in many cognitive disorders. The study was focused on twenty-four phytoconstituents…”
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Discovery of Rhodanine and Thiazolidinediones as Novel Scaffolds for EGFR Inhibition: Design, Synthesis, Analysis and CoMSIA Studies
Published in Polycyclic aromatic compounds (28-05-2022)“…This study reports, 35 novel rhodanine, its bioisosteres thiazolidinediones and is tested for EGFR inhibition. These molecules are designed by using a…”
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Synthesis, antimycobacterial screening and ligand-based molecular docking studies on novel pyrrole derivatives bearing pyrazoline, isoxazole and phenyl thiourea moieties
Published in European journal of medicinal chemistry (01-01-2016)“…We report here the synthesis, antibacterial and antitubercular evaluation of 61 novel pyrrolyl derivatives bearing pyrazoline, isoxazole and phenyl thiourea…”
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A click chemistry approach for the synthesis of mono and bis aryloxy linked coumarinyl triazoles as anti-tubercular agents
Published in European journal of medicinal chemistry (13-11-2015)“…A series of mono and bis-triazole coumarin hybrids 6a–u and 9a–f respectively have been synthesized using 4-(azidomethyl)-2H-chromen-2-ones 5a–i and aryl…”
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Tetrazolylmethyl quinolines: Design, docking studies, synthesis, anticancer and antifungal analyses
Published in European journal of medicinal chemistry (10-03-2017)“…A new series of 2,5 and 1,5-regioisomers of the tetrazolyl group viz., 3-[(5-benzyl/benzylthio-2H-tetrazol-2-yl) methyl]-2-chloro-6-substituted quinoline 6h-q…”
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Synthesis, characterization and antitubercular activities of novel pyrrolyl hydrazones and their Cu-complexes
Published in European journal of medicinal chemistry (04-10-2016)“…Novel pyrrolyl hydrazones and their copper complexes have been synthesized and characterized using analytical and spectral techniques to show the tetrahedral…”
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Green, unexpected synthesis of bis-coumarin derivatives as potent anti-bacterial and anti-inflammatory agents
Published in European journal of medicinal chemistry (01-01-2018)“…A green and efficient protocol has been developed and a series of coumarin based pyrano[3,2-c]chromene derivatives (2) have been synthesized using…”
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Benzothiazole derivatives as p53-MDM2 inhibitors: in-silico design, ADMET predictions, molecular docking, MM-GBSA Assay, MD simulations studies
Published in Journal of biomolecular structure & dynamics (18-12-2023)“…Breast cancer stands as the most prevalent malignancy among the female populace. One of the pivotal domains in the therapeutic landscape of breast cancer…”
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Isolation and characterization of ACE‐I inhibitory peptides from ribbonfish for a potential inhibitor of the main protease of SARS‐CoV‐2: An in silico analysis
Published in Proteins, structure, function, and bioinformatics (01-04-2022)“…Recently, multifunctional fish peptides (FWPs) have gained a lot of attention because of their different biological activities. In the present study, three…”
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3,4-Dihydropyrimidinone-coumarin analogues as a new class of selective agent against S. aureus: Synthesis, biological evaluation and molecular modelling study
Published in Bioorganic & medicinal chemistry (15-02-2017)“…[Display omitted] •An efficient protocol has been developed for the synthesize of dihydropyrimidin-2(1H)-one/thione derivatives of coumarin from substituted…”
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Synthesis, biological evaluation and in silico molecular modeling of pyrrolyl benzohydrazide derivatives as enoyl ACP reductase inhibitors
Published in European journal of medicinal chemistry (27-01-2017)“…In efforts to develop lead anti-TB compounds, a novel series of 19 pyrrolyl benzohydrazides were synthesized and screened to target enoyl-ACP reductase enzyme,…”
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Pharmacophore mapping, molecular docking, chemical synthesis of some novel pyrrolyl benzamide derivatives and evaluation of their inhibitory activity against enoyl-ACP reductase (InhA) and Mycobacterium tuberculosis
Published in Bioorganic chemistry (01-12-2018)“…[Display omitted] •A series of pyrrolyl benzamide derivatives have been designed and synthesized.•Compounds were characterized by IR, 1H NMR, 13C NMR and mass…”
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Molecular Docking and Three-Dimensional Quantitative Structure-Activity Relationships for Antitubercular Pyrimidine Derivatives
Published in Polycyclic aromatic compounds (09-08-2022)“…Enoyl Acyl Carrier Protein (ACP) Reductase, a key enzyme, which catalyzes the last reductive step of fatty acid biosynthesis and it, is one of the key enzymes…”
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Design and synthesis of coumarin–imidazole hybrid and phenyl-imidazoloacrylates as potent antimicrobial and antiinflammatory agents
Published in Monatshefte für Chemie (01-03-2018)“…An improved one pot, multi-component synthesis of tri- and tetrasubstituted coumarin–imidazole hybrid has been synthesized at C4 position in good to excellent…”
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