Search Results - "S. Madan Kumar"
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Molecular hybridization approach for phenothiazine incorporated 1,2,3-triazole hybrids as promising antimicrobial agents: Design, synthesis, molecular docking and in silico ADME studies
Published in European journal of medicinal chemistry (15-04-2019)“…The objective of the current study is to synthesize a library consisting of four sets of phenothiazine incorporated 1,2,3-triazole compounds using molecular…”
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3D energy frameworks of dimethylbenzophenone tetramorphs
Published in Heliyon (01-02-2019)“…The tetramorphth crystals of 4,4–dimethylbenzophenone (D) were obtained using slow-evaporation crystallization method and the structure is elucidated using…”
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Synthesis, anticancer, structural, and computational docking studies of 3-benzylchroman-4-one derivatives
Published in Bioorganic & medicinal chemistry letters (01-12-2017)“…[Display omitted] A series of 3-Benzylchroman-4-ones were synthesized and screened for anticancer activity by MTT assay. The compounds were evaluated against…”
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Effect of OH substitution in 3-benzylchroman-4-ones: crystallographic, CSD, DFT, FTIR, Hirshfeld surface, and energy framework analysis
Published in RSC advances (04-06-2021)“…3-Benzylchroman-4-ones (homoisoflavanones) are oxygen-containing heterocycles with a sixteen-carbon skeleton. They belong to the class of naturally occurring…”
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Vibrational analysis and physical property studies of 6-Methoxy-2-[(E)-phenyliminomethyl]-phenol in the THz, IR and UV–visible spectral regions
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05-11-2019)“…Bulk single crystals of 6-Methoxy-2-[(E)-phenyliminomethyl]phenol were grown after preparing the material by Schiff base condensation of ortho-vanillin…”
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Synthesis, in silico analysis and antidepressant activity of 1,3,4-oxadiazole derivatives
Published in Bangladesh Journal of Pharmacology (31-03-2022)“…The compounds 1,3,4-oxadiazole derivatives (1-8) were synthesized by the cyclization of 4-hydroxy benzhydrazide (1) with various substituted aroma-tic…”
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Metabolite Profiling of Alangium salviifolium Bark Using Advanced LC/MS and GC/Q-TOFTechnology
Published in Cells (Basel, Switzerland) (22-12-2020)“…There is an urge for traditional herbal remedies as an alternative to modern medicine in treating several ailments. is one such plant, used traditionally to…”
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Comparative evaluation of intrathecal morphine and intrathecal dexmedetomidine in patients undergoing gynaecological surgeries under spinal anaesthesia: A prospective randomised double blind study
Published in Indian journal of anaesthesia (01-06-2016)“…Background and Aims: Inrathecal opioids like morphine added to local anaesthetic agents have been found to be effective in achieving prolonged post-operative…”
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Crystal structure of SAM‐dependent methyltransferase from Pyrococcus horikoshii
Published in Acta crystallographica. Section F, Structural biology communications (01-12-2017)“…Methyltransferases (MTs) are enzymes involved in methylation that are needed to perform cellular processes such as biosynthesis, metabolism, gene expression,…”
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Crystal structure and Hirshfeld surface analysis of N , N '-bis-(2-nitro-phen-yl)glutaramide
Published in Acta crystallographica. Section E, Crystallographic communications (01-10-2018)“…The asymmetric unit of the title compound, C H N O , contains two independent mol-ecules ( and ). The two benzene rings are twisted by an angle of 79.14 (7)°…”
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Synthesis, Crystal Structure, and Characterization of (Z)-2-(3-chlorophenyl)-N'-hydroxyacetamidine
Published in Molecular Crystals and Liquid Crystals (02-01-2015)“…The compound (Z)-2-(3-chlorophenyl)-N'-hydroxyacetamidine, (2) was synthesized and characterized by 1 H NMR, FT-IR, TGA, UV-Visible Spectra, and elemental…”
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1-[5-Methyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazol-4-yl]ethanone
Published in Acta crystallographica. Section E, Structure reports online (01-11-2013)“…The asymmetric unit of the title compound, C11H10N4O3, contains two independent mol-ecules in which the benzene rings make dihedral angles of 38.3 (2) and 87.1…”
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Bis(2-bromo-benz-yl) ether
Published in Acta crystallographica. Section E, Structure reports online (01-07-2014)“…In the title compound, C14H12Br2O, the dihedral angle between the aromatic rings is 2.7 (3)° and the Br atoms lie on the same side of the mol-ecule. No…”
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A study on interwoven hydrogen bonding interactions in new zidovudine-picric acid (1:1) cocrystal through single crystal XRD, spectral and computational methods
Published in Journal of molecular structure (05-07-2020)“…High throughput of cocrystals furnishes information on the proximity of an Active Pharmaceutical Ingredient (API) and coformer. In this paper, the…”
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Crystal, Hirshfeld, ADMET, drug-like and anticancer study of some newly synthesized imidazopyridine containing pyrazoline derivatives
Published in Journal of molecular structure (05-12-2019)“…To steer the selection of a potent drug, computer models have been fostered as a valid alternative to reduce pharmacokinetics related failure. The present…”
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1-(3-Oxo-3-phenyl-prop-yl)piperidinium chloride
Published in Acta crystallographica. Section E, Structure reports online (01-12-2013)“…In the title salt, C14H20NO(+)·Cl(-), the piperidine ring adopts a chair conformation. In the crystal, the cations and anions are linked by classical N-H⋯Cl…”
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Ethyl (2E)-2-cyano-3-(4-meth-oxy-phen-yl)acrylate
Published in Acta crystallographica. Section E, Structure reports online (01-11-2013)“…In the title compound, C13H13NO3, the conformation across the C=C bond is synperiplanar, the torsion angle of the segment C(ring)-C=C-C(N) being 3.2 (5)°. In…”
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(1Z)-1-(1-Benzo-furan-2-yl)ethanone oxime
Published in Acta crystallographica. Section E, Structure reports online (01-01-2014)“…The title compound, C10H9NO2, is almost planar (r.m.s. deviation for the non-H atoms = 0.027 Å) and the conformation across the C=N bond is syn. Further, the O…”
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Crystal structure of 4-[(E)-(4-fluoro-benzyl-idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione
Published in Acta crystallographica. Section E, Crystallographic communications (01-12-2015)“…The title compound, C10H9FN4S, crystallizes with two mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and…”
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