Exploration of spectroscopic, computational, fluorescence turn-off mechanism, molecular docking and in silico studies of pyridine derivative.

Autor: Melavanki R; Department of Physics, M. S. Ramaiah Institute of Technology, Bangalore, Karnataka, 560054, India. melavanki73@gmail.com.; Autonomous, Affiliated to Visvesvaraya Technological University, Belagavi, Karnataka, 590018, India. melavanki73@gmail.com., Kusanur R; Department of Chemistry, R.V. College of Engineering, Bangalore, Karnataka, India., Sharma K; Department of Physics, M. S. Ramaiah Institute of Technology, Bangalore, Karnataka, 560054, India.; Autonomous, Affiliated to Visvesvaraya Technological University, Belagavi, Karnataka, 590018, India., Sadasivuni KK; Centre for Advanced Materials, Qatar University, P.O. Box 2713, Doha, Qatar., Koppal VV; Department of Physics, KLE Technological University, Hubli, Karnataka, 580031, India., Patil NR; Department of Physics, B V B College of Engineering and Technology, Hubli, Karnataka, 580031, India. patilnr23@gmail.com.
Jazyk: angličtina
Zdroj: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology [Photochem Photobiol Sci] 2023 Aug; Vol. 22 (8), pp. 1991-2003. Date of Electronic Publication: 2023 May 15.
DOI: 10.1007/s43630-023-00427-z
Abstrakt: The present work reports pyridine-based chalones using spectroscopic techniques to use pyridine derivative analysis. The solvatochromic behavior of 3DPP in non-polar, polar protic and aprotic solvents has been investigated experimentally. The photophysical property of the compound in diverse solvents is attributed to the intra-molecular charge transfer interactions. The dipole moment of 3DPP is estimated theoretically and experimentally using various solvatochromic methods. It is observed that there is a bathochromic shift in the emission spectra of 3DPP, which confirms the π → π* transition. Fluorescence quenching of 3DPP is studied. The type of fluorescence quenching mechanism is found to be collisional quenching. A study of FRET theory on 3DPP was carried out with metal ions. There is a considerable energy transfer between 3DPP and metal ions. NLO behaviors of the compound have been revealed with the help of Kurtz-Perry powder technique. Additionally, the title molecule is docked, carried ADMET studies and drug-like activity using in silico tools. It is probed for antifungal activity through bioinformatics kit which showed potential information.
(© 2023. The Author(s), under exclusive licence to European Photochemistry Association, European Society for Photobiology.)
Databáze: MEDLINE
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