The DFT and in-silico analysis of 2,2′-((1e,1′e)-((3,3′-dimethyl-[1,1′-biphenyl]−4,4′ diyl)bis(azanylylidene))bis(methanylylidene))diphenol molecule

Yusuf Sert, Mustafa R. Albayati, Fatih Şen, Necmi Dege

2024Colloids and Surfaces A Physicochemical and Engineering Aspects49 citationsDOI

Topics & Concepts

MoleculeChemistryBasis setHOMO/LUMOBiphenylADMEComputational chemistryMolecular orbitalCarbonic anhydrase IIIn silicoQuantum chemicalCarbonic anhydraseStereochemistryCrystallographyOrganic chemistryEnzymeGeneIn vitroBiochemistryNonlinear Optical Materials ResearchEnzyme function and inhibitionChemical synthesis and pharmacological studies