Ascomycin-FKBP5 complex visualization.
journal contribution
posted on 2025-03-17, 17:36 authored by Ovinuchi Ejiohuo, Donald Bajia, Joanna Pawlak, Aleksandra Szczepankiewicz(a) 3D structural orientation of the complex from Protein Plus (b) 2D binding pose interaction of the complex from Protein Plus. Black dash lines represent H bonds, green lines represent hydrophobic interaction (c) 3D arrangement of the complex from Molegro Molecular Viewer. Blue dash lines represent H bonds (d) 2D visualization of the interaction from LigPlot. The green text represents the interacting residue, and the green dashed lines represent the H bond.
(DOCX)
History
Usage metrics
Categories
Keywords
xlink "> fk506oral toxicity classificationneural pathways involvedincluding clinical trialshigh gastrointestinal absorptionformed consistent interactionsoffering therapeutic implicationsclass vi ).employing molecular dockingthree key ligandsligands &# 8217md simulation analysisleast toxic basedimpacted mental disordersbinding protein 51attenuating stress impactinhibitors like safit2diversifying fkbp5 ligandsmental disordersgrandinin ).molecular dynamicintricate molecularvarious ligandsbest ligandstherapeutic moleculesstudy aimsstress modulationsilico identificationselective antagonistpharmacological propertiesnotable abilitieslike curcumininteraction partnersinduced fitgenerated complexesfkbp5 proteinchallenges persistbrain barrier78 kcal6 kcal41 kcal
Licence
Exports
RefWorks
BibTeX
Ref. manager
Endnote
DataCite
NLM
DC