Literature summary for 2.7.1.3 extracted from

Kavitha, R.; Karunagaran, S.; Chandrabose, S.S.; Lee, K.W.; Meganathan, C.
Pharmacophore modeling, virtual screening, molecular docking studies and density functional theory approaches to identify novel ketohexokinase (KHK) inhibitors (2015), BioSystems, 138, 39-52.

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Application

Application	Comment	Organism
analysis	development of a three-dimensional chemical-feature-based QSAR pharmacophore model by using Discovery Studio v2.5 to identify inhibitors, and screening of chemical databases for validated pharmacophore hypothesis. Hit compounds show good hydrogen bonding interactions with the keyamino acids such as Arg108, Asp258, Gly41, Gly255, Asn42 and water molecules W12, W27, respectively	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P50053	-	-

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Release 2023.1 (January 2023)