Molecular Modeling and Drug Design
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Sofia Kiriakidi, MSc 
PhD candidate, Theoretical Chemistry
National and Kapodistrian University of Athens,
Department of Chemistry, Organic Chemistry Lab
&

Biomedical Research Foundation,
Center for Translational Research,
Biomedical Research Foundation, Academy of Athens

e-mail: sofki@chem.uoa.gr
Brief Bio
Sofia Kiriakidi graduated from the Department of Chemistry, University of Athens and pursued a Masters Degree in Theoretical Chemistry in Uppsala University, Sweden. She is currently working on her doctoral thesis on the applications of theoretical and biophysical studies on rational drug design. Her doctoral studies are conducted at Prof. Thomas Mavromoustakos lab, in the Department of Chemistry of the University of Athens and at Dr Cournia’s lab, in the Biomedical Research Foundation of the Academy of Athens. During her doctoral studies, she has been working on the use of Quantum Mechanics for the study of chemical phenomena and reaction mechanisms investigation, as well as with Molecular Dynamics for the investigation of drug binding pathways and the study of biophysical properties of membranes and transmembrane proteins. She has been awarded a State Scholarship for her doctoral thesis by the Hellenic Foundation for Research and Innovation (HFRI) and the General Secretariat for Research and Technology (GSRT), under the HFRI PhD Fellowship grant (GA. no. 14551).

​List of Publications:

1.  
Study of Candesartan Cilexetil: 2-Hydroxypropyl-β-Cyclodextrin Interactions: A Computational Approach Using Steered Molecular Dynamics Simulations. In: Mavromoustakos T., Tzakos A.G., Durdagi S. (eds) Supramolecules in Drug Discovery and Drug Delivery. 
S. Kiriakidi, T. Mavromoustakos, Methods in Molecular Biology, vol 2207. Humana, New York, NY, 2021 https://doi.org/10.1007/978-1-0716-0920-0_5

2.   
2D DOSY NMR: A Valuable Tool to Confirm the Complexation in Drug Delivery Systems. In: Mavromoustakos T., Tzakos A.G., Durdagi S. (eds) Supramolecules in Drug Discovery and Drug Delivery.
C.M. Chatzigiannis, S. Kiriakidi, A.G. Tzakos, T. Mavromoustakos, Methods in Molecular Biology, vol 2207. Humana, New York, NY, 2021 https://doi.org/10.1007/978-1-0716-0920-0_18

3.   
Enhancement of glioblastoma multiforme therapy through a novel Quercetin-Losartan hybrid
A. D. Tsiailanis, A. Renziehausen,  S. Kiriakidi, Eirinaios I. Vrettos, G.S. Markopoulos, N. Sayyad, B. Hirmiz, Free Radical Biology and Medicine, Volume 160, 2020, Pages 391-402, ISSN 0891-5849.

4.   
A Journey to the Conformational Analysis of T-Cell Epitope Peptides Involved in Multiple Sclerosis.
C. Koukoulitsa, E.Chontzopoulou, S. Kiriakidi, A. G. Tzakos, T. Mavromoustakos, Brain,Sci. 2020, 10, 356.

5.   
Exploring the role of the membrane bilayer in the recognition of candesartan by its GPCR AT1 receptor.
S. Kiriakidi, C Chatzigiannis, C Papaemmanouil, AG Tzakos, T. Mavromoustakos Biochimica et Biophysica Acta (BBA) - Biomembranes, 2020. 1862(3): p. 183142.

6.   
Effects of Cholesterol on GPCR Function: Insights from Computational and Experimental Studies.
S. Kiriakidi, Kolocouris A., Liapakis G., Ikram S., Durdagi S., Mavromoustakos T. In: Rosenhouse-Dantsker A., Bukiya A. (eds) Direct Mechanisms in Cholesterol Modulation of Protein Function. Advances in Experimental Medicine and Biology, vol 1135. Springer, Cham

7.   
Host-guest interactions between candesartan and its prodrug candesartan cilexetil in complex with 2-hydroxypropyl-β-cyclodextrin: on the biological potency for Angiotensin II antagonism
D.Ntountaniotis, I.Andreadelis, T.Kellici, V.Karageorgos, G.Leonis, E.Christodoulou, S. Kiriakidi, et al, Mol. Pharmaceutics 2019, 16, 3, 1255–1271

8.   
Comparative Perturbation Effects Exerted by the Influenza A M2 WT Protein Inhibitors Amantadine and the Spiro[pyrrolidine-2,2′-adamantane] Variant AK13 to Membrane Bilayers Studied Using Biophysical Experiments and Molecular Dynamics Simulations A.Konstantinidi, N.Naziris, M.Chountoulesi, S.Kiriakidi, et al, J Phys Chem B. 2018 Nov 1;122(43):9877-9895, doi:10.1021/acs.jpcb.8b07071

9.    
Governing effects in the mechanism of the gold-catalyzed cycloisomerization of allenic hydroxylamine derivatives
S.Kiriakidi, O.N.Faza, A.Kolocouris & C.S.López, Org. Biomol. Chem., 2017,15, 5920-5926 doi: 10.1039/C7OB01275F
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