- Multiple biological activities and molecular docking studies of newly synthesized 3-(pyridin-4-yl)-1H-pyrazole-5-carboxamide chalcone hybrids
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A series of fifteen new chemical entities, 3-(pyridin-4-yl)-1H-pyrazole-5-carboxamide chalcones (6a–o), were synthesized as new hybrids with enriched biological activities compared to their parent molecules. The compounds were characterized by1H NMR,13C NMR, Mass and IR spectral studies. Their antibacterial, anti-inflammatory and antioxidant activities have been evaluated. These compounds showed moderate to good antibacterial, anti-inflammatory and antioxidant activities. The molecular docking analysis was performed with cyclooxygenase enzyme to ascertain the probable binding model.
- Sribalan, Rajendran,Banuppriya, Govindharasu,Kirubavathi, Maruthan,Jayachitra,Padmini, Vediappen
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- Synthesis, molecular structure and multiple biological activities of N-(3-methoxyphenyl)-3-(pyridin-4-yl)-1H-pyrazole-5-carboxamide
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A new molecule of pyridylpyrazole amide (PPA) was successfully synthesized and systematically characterized by using NMR, ESI-MS and absorption (FT-IR and UV–Vis) spectroscopic techniques. The UV–Vis spectral absorption and infrared frequencies were theoretically calculated and compared with observed results. The in vitro biological applications like anti-inflammatory, antioxidant and antidiabetic activities were performed. It exhibited admirable anti-inflammatory activity and antidiabetic, worthy antioxidant activities than standards. The interactions between enzyme-ligand were identified with α-amylase (1HNY.pdb) using the autodock tool. Further Potential energy scan, fukui function and molecular electrostatic potential (MEP) were performed using DFT methods. Finally, In silico pharmacological studies like ADME were implemented for PPA.
- Nithyabalaji, Rajendran,Krishnan, Hariharasubramanian,Sribalan, Rajendran
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- A novel pyridine-pyrazole based selective “turn-off” fluorescent chemosensor for Fe(III) ions
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A novel pyridine-pyrazole based “turn-off” fluorescent chemosensor namely, 5-N-(pyridine-2-yl)-3-(pyridine-4-yl)-1H-pyrazole-5-carboxamide (PPPC) was designed, synthesized and well characterized by NMR, ESI-MS and FT-IR spectroscopic techniques. UV–vis absorption and fluorescence spectroscopic studies show that PPPC exhibits high selectivity and sensitivity towards Fe3+ ion in DMSO/H2O solution (9:1, v/v) over other metal ions. The binding constant (K) of PPPC with Fe3+ was calculated to be 5.1 × 10?2 M and 6.1 × 10?2 M from Benesi-Hildebrand plot using UV–vis and fluorescence spectrophotometer respectively. The detection limit of PPPC for Fe3+ was further determined as 57 nM and 88 nM by UV–vis and fluorescence titrations. Moreover, the binding mechanism of Fe3+ with PPPC was confirmed by DFT study.
- Madhu,Sivakumar
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p. 341 - 348
(2018/12/05)
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- Synthesis, structure–activity relationships and biological evaluation of 4,5,6,7-tetrahydropyrazolopyrazines as metabotropic glutamate receptor 5 negative allosteric modulators
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The design, synthesis and SAR studies of novel 4,5,6,7-tetrahydropyrazolopyrazines as metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulators (NAMs) are presented in this letter. Starting from a HTS hit compound (1, IC50?=?477
- Hirose, Wataru,Kato, Yoshihiro,Yamamoto, Takayoshi,Kassai, Momoe,Takata, Makoto,Hayashi, Shun,Arai, Yukiyo,Imai, Satoki,Yoshida, Kohzo
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p. 3866 - 3869
(2016/08/01)
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- MODULATORS OF OCULAR OXIDATIVE STRESS
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Described herein are compounds, compositions and methods directed to the treatment of ophthalmic conditions characterized by oxidative stress or damage in a subject by reducing the reactive oxygen species in the subject. Also described herein are methods for reducing ophthalmic photooxidative damage in a subject.
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Page/Page column 27; 43
(2009/07/03)
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- ACYCLIC PYRAZOLE COMPOUNDS FOR THE INHIBITION OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2
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Compounds are described which inhibit mitogen activated protein kinase-activated protein kinase-2 (MK-2). Methods of making such compounds are described, as well as a method of using them for the inhibition of MK-2, and for the prevention or treatment of a disease or disorder that is mediated by TNFalpha, where the method involves administering to the subject an MK-2 inhibiting compound of the present invention. Pharmaceutical compositions and kits which contain the present MK-2 inhibiting compounds are also described.
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Page/Page column 190
(2008/06/13)
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