V
Veena S. Kumar
Researcher at University of Kerala
Publications - 8
Citations - 237
Veena S. Kumar is an academic researcher from University of Kerala. The author has contributed to research in topics: Molecule & Docking (molecular). The author has an hindex of 6, co-authored 8 publications receiving 125 citations.
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Journal ArticleDOI
Synthesis, spectral properties, chemical descriptors and light harvesting studies of a new bioactive azo imidazole compound
Veena S. Kumar,Y. Sheena Mary,Kiran Pradhan,Dhiraj Brahman,Y. Shyma Mary,Renjith Thomas,M.S. Roxy,C. Van Alsenoy +7 more
TL;DR: In this paper, the synthesis and detailed spectral calculations of a new azoimidazole compound 1-[2-(2-hydroxy-3-methoxy-5-phenylazobenzaldeneamino) ethyl]-3-methyl-3H-IMI (HMAI) and its further characterisations using different quantum mechanical and molecular modelling tools were presented.
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Conformational profile, vibrational assignments, NLO properties and molecular docking of biologically active herbicide1,1-dimethyl-3-phenylurea.
Kabiru Haruna,Veena S. Kumar,Y. Sheena Mary,Saheed A. Popoola,Renjith Thomas,M.S. Roxy,Abdulaziz A. Al-Saadi +6 more
TL;DR: The docking results suggested that the compound exhibits an inhibitory activity against mitochondrial ubiquinol-cytochrome-c reductase and can be developed as a potential anticancer agent.
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Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues.
TL;DR: In this article, the structural, spectroscopic various physico-chemical and biological characteristics of the organic molecule benzil (BZL) and derivatives, 1,2-bis(4-methylphneyl)-1, 2-ethanedione (DMB), 4,4'-difluorobenzil (DFB), 4 4'-dichlorobensil (DCB) and 4 4-dibromobenzils (DBB) have been studied by various computational methods.
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Spectral characterization, thermochemical studies, periodic SAPT calculations and detailed quantum mechanical profiling various physico-chemical properties of 3,4-dichlorodiuron.
Kabiru Haruna,Veena S. Kumar,Sanja J. Armaković,Stevan Armaković,Y. Sheena Mary,Renjith Thomas,Saheed A. Popoola,Abdullah Almohammedi,M.S. Roxy,Abdulaziz A. Al-Saadi +9 more
TL;DR: Since the crystal structure of diuron is known, it was used in order to extract the relevant molecular pairs and investigate interactions between them by DFT and symmetry adapted perturbation theory approaches (SAPT).
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Detailed Quantum Mechanical Studies on Three Bioactive Benzimidazole Derivatives and Their Raman Enhancement on Adsorption over Graphene Sheets
TL;DR: In this article, the authors used various computational tools to analyze the geometry and properties of the derivatives of the benzimidazole derivatives flubendazole (FD1) and mebendazoles (MD2) and ricobendazolines (RD3) and found that FD1 is more stable than MD2 and RD3.