Search Results - "M․P․, Sadashiva"
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Structure elucidation and computational studies of the thiazole derivative against SARS-CoV-2 virus: Insights from XRD, DFT, molecular docking, and molecular dynamics simulation
Published in Journal of molecular structure (15-02-2025)“…•Structural investigation of thiazole derivative using crystal X-ray diffraction technique.•C-H...O intermolecular interactions are studied.•HOMO-LUMO and MEP…”
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Crystal structure elucidation, Hirshfeld surface analysis, and DFT studies of a N-benzyl-3-phenylquinoxalin-2-amine
Published in Journal of molecular structure (05-04-2022)“…•Synthesis, crystal structure characterization, and computational studies were presented.•Crystal structure is stabilized by hydrogen bond…”
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3
In silico studies of thiazole derivative towards its potential use against SARS-CoV-2: An intuition from an experimental and computational approach
Published in Journal of molecular structure (15-02-2025)“…•Structural investigation of thiazole derivative using crystal X-ray diffraction technique.•CH…O, CO…π, and π…π interactions are studied using crystal…”
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Rationalizing the stability and noncovalent interactions of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(methylthio)thiazole-4-carboxamide: Insights from X‐ray structure and QTAIM analysis
Published in Journal of molecular structure (05-01-2025)“…•Structural investigation of thiazole derivative using crystal X-ray diffraction technique.•NH…O, NH…N and π…π interactions are studied.•HOMO-LUMO and MEP…”
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Synthesis, crystal structure characterization, Hirshfeld surface analysis, and Quantum chemical computations of Ethyl 5-(thiophene-2-carbonyl)thiazole-4-carboxylate
Published in Journal of molecular structure (15-10-2021)“…•Crystal structure characterization, and computational studies of the compound were presented.•Crystal structure was stabilized by hydrogen bond…”
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A comprehensive analysis of the molecular packing in the crystal of (4-methoxyphenyl)methyl 4-(4-chlorophenyl)-1,3-thiazole-2-carboxylate: Insights of X-ray crystallography and DFT analysis
Published in Journal of molecular structure (05-01-2025)“…•Structural investigation of thiazole derivative using crystal X-ray diffraction technique.•CH…O, CH…π, and π…π interactions are studied.•HOMO-LUMO and MEP…”
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7
Base catalyzed reaction of 1,4-dithiane-2,5-diol with α-oxoketene dithioacetals: a new general method for the synthesis of 2-methylthio-3-aroyl/heteroaroyl thiophenes
Published in Tetrahedron letters (21-09-2016)“…[Display omitted] •New general method for the synthesis of 2-methylthio-3-aroyl/heteroaroyl thiophenes.•Simple method involving single step with a clear atom…”
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Mucic acid cross-linked chitosan nanoparticles as a dual drug delivery system for treatment of colorectal cancer- insilico and invitro studies
Published in Chemical Data Collections (01-10-2022)“…A potential drug-delivery nanocarrier was developed based on crosslinking of chitosan (CHT) by mucic acid (MA) and used as a dual drug carrier for doxorubicin…”
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A new general method for the synthesis of thiophenes through acid mediated cyclization of mixed acetals derived from β-oxodithiates and bromoacetaldehyde acetal
Published in Tetrahedron letters (08-06-2016)“…[Display omitted] •Acid mediated cyclization of mixed acetals leading to functionalized thiophenes.•Synthesized in high over all yield up to 85% and…”
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Extracellular polysaccharide from Ralstonia solanacearum; A strong inducer of eggplant defense against bacterial wilt
Published in Biological control (01-07-2017)“…[Display omitted] •Exopolysaccharides was isolated and purified from R. solanacearum.•Characterisation of physico-chemical properties of isolated EPS.•EPS…”
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Base catalyzed reaction of ethyl thioglycolate with β-aryl-β-(methylthio) acroleins: a general method for the synthesis of 2-carbethoxy-5-substituted/4,5-annulated thiophenes in high overall yields
Published in Tetrahedron letters (24-02-2016)“…[Display omitted] (Methylthio) acroleins 1a–m were shown to be stable unlike their counterpart the chloroacroleins and their efficacy as 1,3-dielectrophilic…”
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Synthesis of novel β-aryl-β-(methylthio)acroleins via Vilsmeier–Haack protocol as potential 1,3-dielectrophilic three-carbon building blocks
Published in Tetrahedron letters (06-08-2014)“…A new general route for the synthesis of novel β-aryl-β-(methylthio)acroleins, a class of stable potential 1,3-dielectrophilic synthons, has been reported. The…”
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An efficient synthesis of 2-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine: a potent M 1 selective muscarinic agonist
Published in Tetrahedron letters (25-06-2007)“…2-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine is useful for synthesizing potent antimicrobials including the arecoline derivatives, phendimetrazine and…”
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14
An efficient synthesis of 2-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine: a potent M1 selective muscarinic agonist
Published in Tetrahedron letters (25-06-2007)Get full text
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15
Synthesis and microbial inhibition study of novel 5-imidazolyl substituted isoxazolidines
Published in Bioorganic & medicinal chemistry (15-12-2004)“…Cycloaddition of C-imidazolyl- N-phenylnitrones with monosubstituted alkenes afforded 5-imidazolyl substituted isoxazolidines with high regioselectivity. Novel…”
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16
Enhancement in antimicrobial activity of 2-(phenyl)-3-(2-butyl-4-chloro-1 H-imidazolyl)-5-butylate isoxazolidine
Published in Bioorganic & medicinal chemistry letters (01-04-2005)“…The trans rich isomer, 2-(phenyl)-3-(2-butyl-4-chloro-1 H-imidazolyl)-5-butylate isoxazolidine (>96% ee) was synthesized by the condensation of E isomer rich…”
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17
Evaluation of a parasitic flowering plant Dendrophthoe trigona (Wt. & Arn.) Danser for its phytochemical and antioxidant activities
Published in Journal of pharmacy research (01-01-2013)Get full text
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18
Solution-phase synthesis of novel Δ 2-isoxazoline libraries via 1,3-dipolar cycloaddition and their antifungal properties
Published in Bioorganic & medicinal chemistry (2003)“…The synthesis of novel imidazolyl substituted δ 2-isoxazoline libraries are currently of high interest. We report here in the full details of a study leading…”
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Solution-phase synthesis of novel Δ2-isoxazoline libraries via 1,3-dipolar cycloaddition and their antifungal properties
Published in Bioorganic & medicinal chemistry (01-10-2003)Get full text
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20
Synthesis and crystal structure of 5-allyl-5Hdibenzo[b,f]azepine
Published in Journal of chemical crystallography (01-03-2005)Get full text
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