Thomas Mavromoustakos
City University of New York
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Publication
Featured researches published by Thomas Mavromoustakos.
Proteins | 2017
Tahsin F. Kellici; Thomas Mavromoustakos; Dieter Jendrossek; Anastassios C. Papageorgiou
An open and a closed conformation of a surface loop in PhaZ7 extracellular poly(3‐hydroxybutyrate) depolymerase were identified in two high‐resolution crystal structures of a PhaZ7 Y105E mutant. Molecular dynamics (MD) simulations revealed high root mean square fluctuations (RMSF) of the 281–295 loop, in particular at residue Asp289 (RMSF 7.62 Å). Covalent docking between a 3‐hydroxybutyric acid trimer and the catalytic residue Ser136 showed that the binding energy of the substrate is significantly more favorable in the open loop conformation compared to that in the closed loop conformation. MD simulations with the substrate covalently bound depicted 1 Å RMSF higher values for the residues 281–295 in comparison to the apo (substrate‐free) form. In addition, the presence of the substrate in the active site enhanced the ability of the loop to adopt a closed form. Taken together, the analysis suggests that the flexible loop 281–295 of PhaZ7 depolymerase can act as a lid domain to control substrate access to the active site of the enzyme. Proteins 2017; 85:1351–1361.
Biochimica et Biophysica Acta | 2017
Αdamantia S. Liossi; Dimitrios Ntountaniotis; Tahsin F. Kellici; Maria V. Chatziathanasiadou; Grigorios Megariotis; Maria Mania; Johanna Becker-Baldus; Manfred Kriechbaum; Andraž Krajnc; Eirini Christodoulou; Clemens Glaubitz; Michael Rappolt; Heinz Amenitsch; Gregor Mali; Doros N. Theodorou; Georgia Valsami; Marinos Pitsikalis; Hermis Iatrou; Andreas G. Tzakos; Thomas Mavromoustakos
The interactions of irbesartan (IRB) and irbesartan-2-hydroxypropyl-β-cyclodextrin (HP-β-CD) complex with dipalmitoyl phosphatidylcholine (DPPC) bilayers have been explored utilizing an array of biophysical techniques ranging from differential scanning calorimetry (DSC), small angle X-ray scattering (SAXS), ESI mass spectrometry (ESI-MS) and solid state nuclear magnetic resonance (ssNMR). Molecular dynamics (MD) calculations have been also conducted to complement the experimental results. Irbesartan was found to be embedded in the lipid membrane core and to affect the phase transition properties of the DPPC bilayers. SAXS studies revealed that irbesartan alone does not display perfect solvation since some coexisting irbesartan crystallites are present. In its complexed form IRB gets fully solvated in the membranes showing that encapsulation of IRB in HP-β-CD may have beneficial effects in the ADME properties of this drug. MD experiments revealed the topological and orientational integration of irbesartan into the phospholipid bilayer being placed at about 1nm from the membrane centre.
Archive | 2012
Haralambos Tzoupis; Aggelos Avramopoulos; Heribert Reis; Georgios Leonis; Serdar Durdagi; Thomas Mavromoustakos; Grigorios Megariotis; Manthos G. Papadopoulos
In this article, we review some of our recent work and related articles by other authors, which deal with various aspects of nanomaterials and biological complexes and in particular, the effects of interactions on selected properties.
Arabian Journal of Chemistry | 2016
Tahsin F. Kellici; Dimitrios Ntountaniotis; George Liapakis; Andreas G. Tzakos; Thomas Mavromoustakos
Proteins | 2017
Tahsin F. Kellici; Thomas Mavromoustakos; Dieter Jendrossek; Anastassios C. Papageorgiou
Journal of Molecular Structure | 2017
Tahsin F. Kellici; Dimitrios Ntountaniotis; Marianna Vanioti; Simona Golic Grdadolnik; Mihael Simčič; G. Michas; Panagiota Moutevelis-Minakakis; Thomas Mavromoustakos
Archive | 2012
Costantinos Fotakis; Grigorios Megariotis; Dionysios Christodouleas; Eftichia Kritsi; Panagiotis Zoumpoulakis; Dimitrios Ntountaniotis; Maria Zervou; Constantinos Potamitis; Aden Hodzic; Jerry Pabst; Michael Rappolt; Gregor Mali; J. Baldus; Clemens Glaubitz; Manthos G. Papadopoulos; Antreas Afantitis; Georgia Melagraki; Thomas Mavromoustakos
Seventh Conference on Medicinal Chemistry: Drug Discovery and Design, Patra 8-11 March, 2006, Review of Clinical Pharmacology and Pharmacokinetics | 2007
Constantinos Potamitis; Heribert Reis; Maria Zervou; Manthos G. Papadopoulos; Thomas Mavromoustakos
Archive | 2006
Θωμάς Μαυρομούστακος; Μαρία Ζερβού; Παναγιώτης Ζουμπουλάκης; Thomas Mavromoustakos; Maria Zervou; Panagiotis Zoumpoulakis
Archive | 2006
Κ. Ποταμίτης; Μαρία Ζερβού; Μάνθος Γ. Παπαδόπουλος; Θωμάς Μαυρομούστακος; Heribert Reis; Constantinos Potamitis; Maria Zervou; Manthos G. Papadopoulos; Thomas Mavromoustakos