Anti-fibrinolytic activity, electron delocalization, vibrational spectra, drug - likeness properties and bio-activity studies on Anagrelide

Anti-fibrinolytic activity, electron delocalization, vibrational spectra, drug - likeness properties and bio-activity studies on Anagrelide

DFT-based quantum mechanical calculations, electron behaviour, biological properties of the Anagrelide with an IUPAC name of (6,7-dichloro-3,5-dihydro-1H-Imidazo[2,1,-b]quinazolin-2-one) is probed using Gaussian 09 W and Gauss View 6 programs, with B3LYP / 6–311++ G (d, p) basis set. The optimized g...

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Bibliographic Details
Main Authors: V. Sunil Kumar, Krishna Murthy Potla, K. Srishailam, S. Kaleeswaran, Saleem Javed, A. Manikandan, S. Muthu
Format: Article
Language:English
Published: Elsevier 2024-01-01
Series:Results in Chemistry
Subjects:
DFT
HOMO
LUMO
ELF
LOL
Docking
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715624000754

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