2016
DOI: 10.1007/s12539-015-0138-3
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Design, Synthesis, Spectral Analysis, In Vitro Anticancer Evaluation and Molecular Docking Studies of Some Fluorescent 4-Amino-2, 3-Dimethyl-1-Phenyl-3-Pyrazolin-5-One, Ampyrone Derivatives

Abstract: The commenced work deals with the synthesis, characterization and evaluation of biological activities of 4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one. The synthesis was done by the condensation of aromatic acid chlorides with 4-aminoantipyrine. The structures of synthesized derivatives were elucidated using IR, Mass, H NMR andC NMR spectroscopy, and their UV-Visible and fluorescence properties were studied. The compounds showed significant dual fluorescence. Molecular docking was used to understand the smal… Show more

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Cited by 15 publications
(9 citation statements)
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“…Molecular docking, with flexible SP followed by XP, was executed. The grid-based technique, evaluation, and minimization of grid approximation procedure were followed by Premnath et al (2016) and Muthiah et al (2020) . The confirmation of the best interactive molecule with 6WPT protein was concluded based on the G score and number of hydrogen bonds and bonding efficiency and binding energy.…”
Section: Methodsmentioning
confidence: 99%
“…Molecular docking, with flexible SP followed by XP, was executed. The grid-based technique, evaluation, and minimization of grid approximation procedure were followed by Premnath et al (2016) and Muthiah et al (2020) . The confirmation of the best interactive molecule with 6WPT protein was concluded based on the G score and number of hydrogen bonds and bonding efficiency and binding energy.…”
Section: Methodsmentioning
confidence: 99%
“…These strategies expected to disclose the binding affinity of this antimicrobial agent to their respective receptor and their relative orientation inside the receptor and in contact with active site residues. Molecular interaction protocols set up based on Schrödinger (2018-2) program [26,27]. Docking simulation scores were analyzed and detailed in Table 4.…”
Section: Resultsmentioning
confidence: 99%
“…Although administration of this compound is limited due to the agranulocytosis induced by ampyrone as a side effect, there are many reports on its use as a promising anticancer agent [18][19][20]. It is also effective for protection against the oxidative stress in chemotherapeutic agents (III) and also is an important constituent in medical applications [20].…”
Section: Introductionmentioning
confidence: 99%