Drug Discovery
  Molecular Analysis
  Organic and Organometallic Chemistry
  Medicinal Chemistry
  Synthetic Medicinal Chemistry and Chemical Biology
  Identification & validation of novel therapeutic targets - Biological evaluation of bioactive small molecules and drugs
  Structural Biology & Chemistry
  Molecular Endocrinology
  Signal Mediated Gene Expression
  Molecular & Cellular Ageing
  Biomedical Applications
  Holistic Approaches in Health
  Environment and Health
  Metabolic Engineering-Bioinformatics
  Biomarker Discovery & Translational Research
  Enzyme and Synthetic Biotechnology
  Biomimetics & Nanobiotechnology
  Conjugated Polymers for Healthcare, Bioelectronics and Bioimaging


Structural Biology & Chemistry
Dr. Spyros Zographos | Research Director, Group Leader


The general theme that underlies the work of Dr. Zographos’ research team is the functional and structural studies of proteins of pharmaceutical and biotechnological interest. His team utilizes recombinant DNA technology, protein expression and advanced protein purification techniques in conjunction with biochemical binding assays, enzyme kinetics and X-ray protein crystallography as well as, through close collaboration with partners, thermodynamic, macromolecular NMR, Cryo-EM and in silico studies to gain a deep understanding of the structure/function relationship and regulation of protein targets of interest. This information can guide both computational and synthetic chemists to the rational design, synthesis and discovery of novel therapeutic agents and other products of biotechnological interest.

Main Scientific Directions

Insect Olfaction

Olfaction plays a key role in insects, regulating essential behaviors such as i) host-seeking through the detection of organic compounds released by human, animals and plants ii) detection of species specific chemical signals such as sexual and alarm pheromones.
Mosquitoes are the primary transmitters of multiple parasites and viruses that cause malaria, dengue fever, West Nile encephalitis, microcephaly in newborn infants due to Zika virus and many other serious and often fatal diseases. Furthermore, agricultural and farm livestock insect pests, represent primary factors leading to reduced production of major crops and increased losses of farm animals.

Since 2010, Dr. Zographos’ research focuses on biochemical, molecular, functional and structural characterization of Mosquito and Pest insects Odorant Binding Proteins (OBPs), as molecular targets for the structure-based discovery of novel host-seeking disruptors, repellents or attractants. Since 2020, the research in insect olfaction was expanded to the mosquito 7-transmembrane Odorant Receptor coreceptor (ORco). The goal of this direction is the application of OBP- and ORco-structure-based approaches for the discovery of multiple new and effective agents to be employed in the effort to reduce the spread of insect-transmitted infectious diseases as well as control insects of agricultural importance.


OBP-structure-aided repellent discovery (Tsitsanou K.E., Liggri, P.G.V Stamati, E.C.V,  E-Christodoulou, E-A)

OBP1.jpgMuch physiological and behavioral evidence has been provided suggesting that insect Odorant Binding Proteins (OBPs) are indispensable for odorant recognition and thus appealing targets for structure-based discovery and design of novel host-seeking disruptors.

We have proposed OBPs as valuable molecular targets for the structure-based discovery and design of disruptors of normal olfactory and host seeking mosquito behavior (Tsitsanou et al., 2012, Tsitsanou, Drakou, et al., 2013, Drakou et al., 2017, Liggri et al., 2019). Significantly, we have now developed and successfully validated a Ligand- & OBP-structure-aided Discovery Protocol that led to identification of novel bioactive leads, attesting the applicability of the OBP-structure-aided discovery method (Thireou et al., 2018, Zographos et al., 2018). Therefore, the study on OBPs of A. gambiae and the determination of their 3D-structures and binding specificities could help us understand the molecular basis of odorant detection by OBPs, in this and other anthropophilic species, towards the development of new effective agents for the prevention of mosquito-borne diseases.


Advanced Research on the 3D Structure of the Mosquito Odorant Receptor Coreceptor (Tsitsanou K.E., Liggri, P.G.V)


Insect Odorant Receptors (ORs) play the central role in the manifestation of behavioral responses. In insects, including mosquitoes, each Olfactory Receptor Neuron (ORN) expresses a divergent member of the OR family (ORx) and a highly conserved one, Odorant Receptor coreceptor (ORco), which is abundantly expressed in insect ORNs. Formation of ORx-ORco heteromers leads to functional ligand (odor)-gated non-selective cation channels, directly activated by odors or pheromone ligands. Recent findings have shown that ORco acts as a ligand-gated channel in the absence of ORx and that it possesses an allosteric site to which modulators can bind directly and noncompetitively inhibit OR activation by odorants (Antagonists) or act as positive allosteric modulators (Agonists) of heteromeric channel function (Iatrou et al., 2022).

The project aims at the biochemical, molecular, functional and structural characterization of the 7-transmembrane Odorant Receptor coreceptor (ORco) of the mosquito Anopheles gambiae, applying the most up-to-date methodology and cutting-edge technology, including Nanodisk technology, Robotic high-throughput in meso  crystallogenesis, Micro- and serial-crystallography using synchrotron radiation and high resolution cryo-Electron Microscopy. The results to be obtained from the successful implementation of this project, in addition to being of great importance to public health, could be further exploited for the development of ecologically-smart methods for the control of agricultural and farm livestock insect pests. Therefore, this project could have a major economic impact on the agricultural and livestock raising sectors.

Pharmacological Protein targets

This direction focus on biochemical, molecular, functional and structural characterization of protein targets involved in major diseases such as Type-2 Diabetes mellitus, Cancer and Aging. The goal of this direction is the application of structure-based approaches for the discovery of novel agents, potent inhibitors or activators, against human diseases.


Mechanism of Glycogen Phosphorylase inhibition towards the discovery of novel hypoglycemic agents (Tsitsanou, K.E, Liggri, P.G.V; in collaboration with Prof. Leonidas D.D. University of Thessaly)

OBP1.jpgGlycogen phosphorylase (GP; EC is a key enzyme in glycogen metabolism that catalyzes the first step in the degradation of glycogen to yield glucose 1-phosphate (glucose-1-P). As such, GP has a pivotal role in human carbohydrate catabolism by initiating the enzyme cascade that releases glucose from glycogen deposits to serve the energy needs of the organism. Because of the central role of GP in glucose homeostasis, the enzyme has been investigated for therapeutic intervention in type 2 diabetes and validated as a molecular target for the discovery of novel antidiabetic drugs that will inhibit hepatic glucose production. Over the past decade, X-ray crystallo­graphic, enzyme kinetic and structure-assisted inhibitor design studies, have led to the discovery of more than 100 inhibitors of glycogen phosphorylase (GP) enzyme (target for type 2 diabetes mellitus), including new synthetic inhibitor classes (Leonidas et al., 2021, Kyriakis et al., 2020, Szabo et al., 2019, Fischer et al., 2019, Bokor et al., 2017, Parmenopoulou et al., 2014, Czifrak et al., 2014, Kantsadi, Hayes, et al., 2012, Parmenopoulou et al., 2012, Kantsadi, Manta, et al., 2012, Manta et al., 2012, Nagy et al., 2012) and natural products such as flavonoids and terpenes (Tsitsanou, Hayes, et al., 2013). The essential binding properties of these compounds are analyzed in an effort to provide rationalizations for the affinities of these compounds, carry on a more detailed SAR study and to exploit the molecular interactions that might give rise to better inhibitors, potential agents for controlling hyperglycaemia in T2D.


Design of novel inhibitors of the oncogenic B-RAFV600E protein kinase (Tsitsanou, K.E.; in collaboration with Dr. Chrysina D.E.)

OBP1.jpgThe RAS-RAF-MEK-ERK signal transduction cascade is arguably the most important oncogenic pathway in human cancers. A-RAF, B-RAF, and C-RAF belonging to the RAF family of protein serine/threonine kinases are critical effectors of this pathway. B-RAF mutations occur in a variety of cancers (30-60% of melanomas, 30-50% of thyroid cancers, and 5-20% of colorectal cancers). Therefore, B-RAF kinase has been recognized as a key target for cancer treatment. The most common activating BRAF point mutation accounting for 90% of all B-RAF mutations results in a substitution of glutamic acid (E) for valine (V) at position 600 of the aminoacid sequence (B-RAFV600E), leading to a mutant oncogenic version of the RAF kinase enzyme. B-

RAFV600E mutation promotes kinase activity as a monomer and is independent of RAS regulation, leading to potent and constitutive activation of the pathway. FDA approved B-RAF inhibitors for B-RAFV600E tumors such as vemurafenib and dabrafenib, have provided impressive clinical responses extending survival of melanoma patients. However, these drugs display paradoxical activation in normal B-RAFWT cells due to RAF transactivation and priming, acquired drug resistance, and limited clinical effectiveness in non-V600E BRAF-dependent tumors that cause most patients to relapse within a year, underscoring the urgent need to develop next-generation BRAF inhibitors. 


The crystal structure of B-RAFV600E – PLX8394 complex

Our objective is to determine the crystal structures of B-RAFV600E in complex with a number of novel inhibitors in order to assist structure-based approaches for the discovery of potent B-RAF inhibitors. Towards this aim, in 2018, we succeed to over-express B-RAFV600E in E. coli cells and determine  the crystal structure of B-RAFV600E in complex with the PLX8394 inhibitor. The PLX8394 (Plexxicon), so called “paradox breaker” inhibits B-RAFV600E (IC50 of 3.8 nM) without paradoxical effects in wild-type cells in contrast to its parental compound vemurafenib. (Tsitsanou, et al., manuscript in preparation)


hCINAP: Regulation of RNA processing in eukaryotes

OBP1.jpghuman Coilin Interacting Nuclear ATPase Protein (hCINAP) directly interacts with coilin, a marker protein of Cajal Bodies (CBs), nuclear organelles involved in the maturation of small nuclear ribonucleoproteins (Santama et al, 2005). hCINAP has previously been designated as an adenylate kinase (AK6), but it exhibits structural features characteristic of ATPase/GTPase proteins (Walker motifs A and B) and also intrinsic ATPase activity. In 2012 we reported the first high-resolution structure of hCINAP in complex with the substrate ADP and the structure of the ternary complex hCINAP-Mg2+ADP-PO43-. Structural analysis suggested a functional role for His79 in the Walker B motif. We have shown that in vivo expression of hCINAP-H79G in human cells is toxic and drastically deregulates the number and appearance of CBs. Our findings suggest that hCINAP may not simply regulate nucleotide homeostasis, but may have broader functionality, including control of CBs assembly (Drakou et al, 2012). In last decade hCINAP has been reported to be an important regulator of Ribosomal Protein-HDM2-p53 pathway and a potential anticancer drug target. The detailed understanding of hCINAP function and its interaction with ligands and protein partners will give new insights into basic steps in eukaryotic gene expression, such as regulation of RNA processing, and assess its potential as a novel pharmacological target to combat cancer.



Group Structure and Personnel

Group leader

Dr. Spyros E. Zographos, Chemist, PhD in Chemistry, Research Director


Current Group members (May 2022)

  • Dr. Katerina E. Tsitsanou, Chemist, PhD in Biology (Senior Postdoctoral research fellow in the 7-transmembrane Odorant Receptors coreceptor, 3D-ORco Postdoctoral fellow)
  • Ms. Panagiota G.V. Liggri, Biochemist, MSc. in Biochemistry (PhD student in the OBPs project, IKY PhD fellow)
  • Ms. Evgenia C.V. Stamati, Biochemist, MSc. in Biochemistry (PhD student in the OBPs project, QFytoTera PhD fellow)
  • Ms. Eleanna Christodoulou, Chemist, MSc. in Pharmaceutical Chemistry, (PhD student in the OBPs project, QFytoTera PhD fellow).
  • Mr. George Stellas, undergraduate student in Biochemistry (final year’s project student in the OBPs Project)

Administrative Personnel

  • Ms. Irene Dimitropoulou, Food Technologist, MSc in Dietetics and Human Nutrition. Secretariat of the MSc programme “Bio-entrepreneurship”



Dr. Zographos is currently collaborates with research groups based in Greek Research Centers and Universities with related or complimentary interests. The main Institutional, National and International collaborations are listed below.

Research Direction: Insect Olfaction



Collaboration framework 2018-2021

Prof. K. Iatrou
(Molecular and Functional Biology Insect OBPs and  Insect Odorant Receptors)


Research project 3D-ORco (Partner)




Prof. M. Caffrey (Crystallization of 7-transmembrane Odorant Receptors)

Trinity Biomedical Sciences Institute (TBSI), University of Dublin, Ireland

Research project 3D-ORco (Partner)

Prof. J.T. Huiskonen
(Cryo-EM studies of 7-transmebrane Odorant receptors)

Helsinki Institute of Life Science (HiLIFE), University of Helsinki, Finland

Research project 3D-ORco (Partner)

Asst. Prof. P. Giastas
(Biophysical studies)

Biotechnology Department, Agricultural University of Athens

Research project 3D-ORco (Partner)

Dr. P. Zoumpoulakis
(Molecular modeling & Analytical methods)


Research Project QFytoTera (Partner)

Dr. Α. Michaelakis
(Insect Behavioral assays- Arm in Cage)

Benaki Phytopathological Institute 

Research Project QFytoTera (Partner)

Dr. D. Papachristos
 (Insect Chemical ecology)

Benaki Phytopathological Institute 

Research Project QFytoTera (Partner)

Dr. V. Papadimitriou (Encapsulation of Insect Repellents)


Research Project QFytoTera (Partner)

Prof. G. Sotiropoulou  (Toxicity studies of Repellents)

Department of Pharmacy University of Patras

Research Project QFytoTera (Partner)

Mr. F. Sakellaridis
(Commercialization of QFytoTera Insect Repellents

C.E.O., Qualia Pharma Ltd.

Research Project QFytoTera (Partner)

Prof. V. Roussis
(Isolation of Plant and Marine secondary metabolites as Insect Repellents)

Department of Pharmacy National & Kapodistrian University of Athens.

PhD Research Project of Ms. Eleanna Christodoulou on OBPs

Prof. G. Spyroulias, (Macromolecular NMR studies)

Department of Pharmacy University of Patras

Join Research Activity on OBPs in the frame of INSPIRED

Dr. Μ. Zervou
(Macromolecular NMR studies)


PhD Research Project of Ms. Eleanna Christodoulou on OBPs

Dr. Jonathan D. Bohbot
(Electroantenograph Detection studies)

Dept. of Entomology, Faculty of Agriculture, Food and Environment, The Hebrew University of Jerusalem

PhD Research Project of Ms. Eleanna Christodoulou on OBPs

Dr. Alexandre de Almeida e Silva
(Insect Behavioral assays-Human free blood feeding)

Dept. of Biology, Federal University of Rondônia (UNIR), Brazil

PhD Research Project of Ms. Evgenia Stamati on OBPs

Prof. D. Fessas
(Calorimetric  studies of OBP-ligand complexes)

Università degli Studi di Milano, Italy

PhD Research Project of Ms. Panagiota Liggri on OBPs

Prof. H. Pérez-Sánchez (Molecular modeling and MD simulations)

Structural Bioinformatics and High Performance Computing Research Group (BIO-HPC) Universidad Católica de Murcia, Spain

PhD Research Project of Ms. Panagiota Liggri on OBPs

Prof. Saulo Fernandes de Andrade
(Synthesis of Insect Repellents and Molecular Modeling)  

Dept. Of Pharmacy, Federal University of Rio Grande do Sul (UFRGS), Brazil

PhD Research Project of Ms. Evgenia Stamati on OBPs

Prof. E. Eliopoulos
(Molecular modeling)

Agricultural University of Athens

OBPs project

Prof. P.M. Guerin
(Insect Behavioral assays-Human free Warm body )

Institute of Biology, University of Neuchâtel, Switzerland

OBPs project

Dr. T. Calogeropoulou
(Synthetic Insect Repellents)


Undergraduate Diploma Research Project of Ms. Evanthia Hazapaki on OBPs

Prof. B. Offmann
(Molecular modeling)

Département des Sciences de la Vie, Université de Nantes, France

OBPs project

Prof. R. Sowdhamini
(Molecular Dynamics Simulations)

National Centre for Biological Sciences, Karnataka, India


Prof. A. Azem
(Analytical Ultracentrifugation studies)

Department of Biochemistry and Molecular Biology, Tel Aviv University

OBPs project 

Prof. J. Vontas
(Molecular and Functional Biology)

Institute of Molecular Biology and Biotechnology (FORTH)

SAP-2 project:
Structural study of Α. gambiae sensory appendage protein-2 (SAP-2)


Research Direction: Pharmacological targets



Collaboration framework 2018-2021

Prof. D. Leonidas
(Enzyme Kinetics and protein crystallography)

Department of Biochemistry and Biotechnology, University of Thessaly

Glycogen Phosphorylase Project

Prof. L. Somsák
(Synthetic inhibitors of Glycogen Phosphorylase)

Department of Medical Chemistry, Faculty of Medicine, University of Debrecen, Hungary

Glycogen Phosphorylase Project

Prof. Ν. Santama
(Cellular and Molecular Biology studies)

Department of Biological Sciences, University of Cyprus

hCINAP project

Dr. N. Chondrogianni/ M. Koufaki/ T. Calogeropoulou (Synthesis of Proteasome Activators, Biological Activity  Evaluation


Proteasome Project:
Structural study of Proteasome-Activators complexes

All ICB Researchers (Molecular modeling, Synthesis of B-Raf inhibitors, Biological Activity  Evaluation)


B-Raf Project:
Structural study of B-Raf(V600E)-Inhibitor complexes in the frame of STHENOS-β



Running funded projects (May 2022)

As coordinator and/or Scientific Responsible

  • 3D-ORco: Advanced Research on the 3D structure of Mosquito Odorant Receptor coreceptor”. Hellenic Foundation for Research and Innovation (H.F.R.I.) under the “1st Call for H.F.R.I. Research Projects to support Faculty members and Researchers and the procurement of high-cost research equipment” (Project Number: HFRI-FM17-637) in collaboration with NCSR-Demokritos, Hellenic Pasteur Institute, University of Helsinki, Finland and University of Dublin, Ireland (28/2/2020-31/8/2023)Budget: 180.000 €.

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  • QFytoTera: Nanoemulsions of plant oils with moisturizing and insect repellent properties” under the Operational Programme “Research, Entrepreneurship and Innovation” EPAnEK-NSRF 2014-2020 (MIS 5030853) for collaborative R&D projects between academic institutions and the private sector (in collaboration with Qualia Pharma Ltd., Benaki Phytopathological Institute and the University of Patras). (9/7/2018-8/7/2022). Budget: 630,005.37 €

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As partner

  • INSPIRED: The National Research Infrastructures on Integrated Structural Biology, Drug Screening Efforts and Drug target functional characterization” National Research Infrastructures NSRF (ΕΠΑνΕΚ) 2014-2020. Coordinator Dr. E. Chrysina, ICB/NHRF (3/9/2018-30/9/2022). Budget for SBC-1: 76,000€ (Upgrade of Protein Crystallization Infrastructure). Role: Partner/member of the steering committee
  • OMIC-ENGINE Synthetic Biology: from omics technologies to genomic engineering” National Research Infrastructures NSRF (ΕΠΑνΕΚ) 2014-2020. Coordinator Prof. K. Mathiopoulos, University of Thessaly (Scientist in charge for ICB/NHRF Dr. G. Skretas), (1/1/2018-30/6/2022). Role: Partner


Completed funded projects 2012-2019

As coordinator and/or Scientific Responsible for ICB

  • “IKYMOS: Mosquito Odorant Binding Proteins as molecular targets for the discovery of new effective repellents/attractants. “State Scholarships Foundation (IKY) Doctorate Scholarship 2016-2019 to Ms. P. Liggri” NSRF (ΕΣΠΑ) 2014-2020 (8/12/2016-7/12/2019). Scholarship: 29.408,4 €. Role: Supervisor.
  • “PREVENT: Molecular, functional and structural analysis of Mosquito OBPs for Prevention of Vector-Borne Infectious Diseases” General Secretariat for Research and Technology, Research grant ESPA R&D project of bilateral cooperation Greece-Turkey 2013-2014 in collaboration with Ass. Prof. M. Senay Sengul, Department of Molecular Biology and Genetics, Gaziosmanpasa University, Tokat, Turkey (20/12/2013-31/12/2015). Budget: 30,000 €.
    Role : Coordinator/ Scientific Responsible.
  • ''ENAROMaTIC: European Network for Advanced Research on Olfaction for Malaria Transmitting Insect Control.'' FP7-HEALTH-2007-2.3.2-9 (GA-222927), (1/12/2008-30/11/2012); Coordinator Dr. K. Iatrou, NCR Demokritos. Budget for SBC1: 280,000 €.
    Role : Scientist in charge for ICB /WP5 leader.
  • ''EUROSTRUCT: European consolidation and promotion of research capacity in the area of structure based drug discovery''. FP7-REGPOT-2008-1, (GA-230146), (1/2/2009-31/1/2012). Budget: 970,300 €. Role: Coordinator.


As partner

  • STHENOS-β: Targeted therapeutic approaches against degenerative diseases, with emphasis on cancer and aging: Optimization of targeted bioactive compounds’’ Ministry of Education, Lifelong Learning, and Religious Affairs, “Development Proposals of Research Institutions - KRIPIS”, NSRF 2014-2020. O.P. “Competitiveness & Entrepreneurship” and Regions in Transition” (1/1/2017-30/06/2021); Coordinator Dr. A. Pintzas (IBMCB Director), IBMCB/ NHRF. Budget for SBC1: 46,800€. Role: Partner/WP1 leader.
  • INSTRUCT-Ultra: Releasing the full potential of Instruct (Integrating infrastructures for Structural Biology) to expand and consolidate infrastructure services for integrated structural life science research”. H2020-INFRADEV-2016-1 (GA-731005) (01/01/2017-31/12/2020). Coordinator D. Stuart, University of Oxford (Scientist in charge for IBMCB/NHRF Dr. E. Chrysina), Budget for SBC1: 750€ (travels). Role: Partner/Member of the general assembly.
  • “IKYMOS-Pos:  A combined methodology for the discovery of compounds with insect repellency properties” IKY Fellowships of Exellence for Postgraduate Studies in Greece-Siemens Program to Dr. E. Kritsi. (16/04/2017- 31/08/2017) Scientific Responsible: P.Zoumpoulakis. Budget: 13,500 €. Role: Partner.
  • 'STHENOS: Targeted therapeutic approaches against degenerative diseases, with emphasis on cancer and aging’’ Ministry of Education, Lifelong Learning, and Religious Affairs, “Development Proposals of Research Institutions - KRIPIS”, NSRF 2007-2013. O.P. “Competitiveness & Entrepreneurship” and Regions in Transition” (1/1/2013-31/12/2015); Coordinator Dr. A. Pintzas (IBMCB Director), IBMCB/ NHRF. Budget for SBC1: 120,000 €. Role: Partner.
  • ''ARCADE: Advancement of Research Capability for the Development of New Functional Compounds'' FP7-REGPOT-2009-1, (GA-245866), (01/12/2009-30/5/2013); Coordinator Dr. B. Steele, IBMCB/NHRF. Budget for SBC1: 205,000 €. Role: Partner.



Publications in refereed journals

  • Fytrou A, Papachristos, DP, Milonas, PG, Giatropoulos, A, Zographos, SE, and Michaelakis, A. (2022) Behavioural response of Culex pipiens biotype molestus to oviposition pheromone. Journal of Insect Physiology [Epub 2022 Mar 18] | JIF2021: 2.354 | Pubmed
  • Leonidas DD*, Zographos SE*, Tsitsanou KE, Skamnaki VT, Stravodimos G, Kyriakis E (2021) Glycogen phosphorylase revisited: extending the resolution of the R- and T-state structures of the free enzyme and in complex with allosteric activators. Acta Crystallogr F 77, 303-311 | JIF2021: 1.056 | PubMed | PDBs: 3E3L3E3N3E3O7P7D
  • Kyriakis E, Karra AG, Papaioannou O, Solovou T, Skamnaki VT, Liggri PGV, Zographos SE, Szennyes E, Bokor E, Kun S, Psarra AG, Somsak L, Leonidas DD (2020) The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg Med Chem. 28, 115196 | JIF2020: 3.409 | PubMed | PDBs: 6S4H, 6S4K, 6S4O, 6S4P, 6S4R, 6S51, 6S52
  • Szabo, KE, Kyriakis, E, Psarra, AG, Karra, AG, Sipos, A, Docsa, T, Stravodimos, GA, Katsidou, E, Skamnaki, VT, Liggri, PGV, Zographos, SE, Mandi, A, Kiraly, SB, Kurtan, T, Leonidas, DD, and Somsak, L (2019) Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography. J Med Chem. 62, 6116-6136 | JIF2019: 6.336 | PubMed | PDBs: 6QA66QA76QA8
  • Fischer T, Koulas SM, Tsagkarakou AS, Kyriakis E, Stravodimos GA, Skamnaki VT, Liggri PGV, Zographos SE, Riedl R, Leonidas DD (2019) High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-β-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors. Molecules 24, 1322+ | JIF2019: 3.309 | PubMed | PDBs: 6R0H, 6R0I
  • Thireou T, Kythreoti G, Tsitsanou KE, Koussis K, Drakou CE, Kinnersley J, Krober T, Guerin PM, Zhou, J-J, Iatrou K, Eliopoulos E, Zographos SE* (2018). Identification of novel bioinspired synthetic mosquito repellents by combined ligand-based screening and OBP-structure-based molecular docking. Insect Biochem Mol Biol. 98, 48–61 | JIF2018: 3.737 | PubMed
  • Bokor E, Kyriakis E, Solovou TG, Koppany C, Kantsadi AL, Szabo KE, Szakacs A, Stravodimos GA, Docsa T, Skamnaki VT, Zographos SE, Gergely P, Leonidas DD, Somsak L (2017) Nanomolar inhibitors of glycogen phosphorylase based on beta-D-glucosaminyl heterocycles: a combined synthetic, enzyme kinetic and protein crystallography study. J Med Chem.  60, 9251−9262| JIF2017: 6.590 | PubMed | PDBs: 5O50, 5O52, 5O54, 5O56
  • Drakou CE, Tsitsanou KE, Potamitis C, Fessas D, Zervou M, Zographos SE* (2017) The crystal structure of the AgamOBP1*Icaridin complex reveals alternative binding modes and stereo-selective repellent recognition. Cell Mol Life Sci. 74, 319–338 | JIF2017: 6.998 | PubMed | PDBs: 5EL2
  • Peppa VI, Venkat H, Kantsadi AL, Inamdar SR, Bhat GG, Eligar S, Shivanand A, Chachadi VB, Satisha GJ, Swamy BM, Skamnaki VT, Zographos SE, Leonidas DD (2015) Molecular Cloning, Carbohydrate Specificity and the Crystal Structure of Two Sclerotium rolfsii Lectin Variants. Molecules 20, 10848-65 | JIF2015: 2.465 | PubMed | PDBs: 4YLD, 4Z2F, 4Z2Q, 4Z2S
  • Parmenopoulou V, Kantsadi AL, Tsirkone VG, Chatzileontiadou DS, Manta S, Zographos SE, Molfeta C, Archontis G, Agius L, Hayes JM, Leonidas DD, Komiotis D. (2014) “Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-β-d-glucopyranosylamines” Bioorg Med Chem. 22, 4810-25 | JIF2014: 2.793 | PubMed | PDBs: 4MHO, 4MHS, 4MIC,  4MI3, 4MI6 & 4MI9
  • Czifrák K, Páhi A, Deák S, Kiss-Szikszai A, Kövér KE, Docsa T, Gergely P, Alexacou KM, Papakonstantinou M, Leonidas DD, Zographos SE, Chrysina ED, Somsák L. (2014) “Glucopyranosylidene-spiro-iminothiazolidinone, a new bicyclic ring system: synthesis, derivatization, and evaluation for inhibition of glycogen phosphorylase by enzyme kinetic and crystallographic methods” Bioorg Med Chem. 22, 4028-41 | JIF2014: 2.793 | PubMed | PDBs: 4CTM, 4CTN & 4CTO
  • Tsitsanou KE,  Drakou CE, Thireou T, Gruber AV, Kythreoti G, Azem A, Fessas D, Eliopoulos E, Iatrou K, Zographos SE* (2013) “The crystal and solution studies of the “Plus-C” odorant binding protein 48 from Anopheles gambiae: Control of binding specificity through 3D domain-swapping” J Biol Chem 288,33427-38 | JIF2013: 4.600 | PubMed | PDBs: 4IJ7 & 4KYN
  • Skamnaki VTPeumans WJKantsadi ALCubeta MAPlas KPakala SZographos SESmagghe G,  Nierman WC, Van Damme EJLeonidas DD. (2013) “Structural analysis of the Rhizoctonia solani agglutinin reveals a domain swapping dimeric assembly” FEBS J. 280, 1750-1763 |  JIF2013: 3.986 | PubMed | PDBs: 4G9M & 4G9N
  • Tsitsanou KE, Hayes JM, Keramioti M, Mamais M, Oikonomakos NG, Kato A, Leonidas DD, Zographos SE* (2013) “Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol.”  Food Chem Toxicol 61, 14-27 | JIF2013: 2.610 | PubMed | PDBs: 3EBO & 3EBP
  • Parmenopoulou V, Chatzileontiadou DS, Manta S, Bougiatioti S, Maragozidis P, Gkaragkouni DN, Kaffesaki E, Kantsadi AL, Skamnaki VT, Zographos SE, Zounpoulakis P, Balatsos NA, Komiotis D, Leonidas DD (2012) “Triazole pyrimidine nucleosides as inhibitors of Ribonuclease A. Synthesis, biochemical, and structural evaluation.” Bioorg Med Chem. 20, 7184-7193 | JIF2012: 2.903 | PubMed | PDBs: 4G90 , 4G8V & 4G8Y
  • A.L. Kantsadi, S. Manta, A.-M.G. Psarra, A. Dimopoulou, C. Kiritsis, V. Parmenopoulou, V.T. Skamnaki, P. Zoumpoulakis, S.E. Zographos, D.D. Leonidas, and D. Komiotis  (2012) “The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b. Synthesis, biochemical and biological assessment". European Journal of Medicinal Chemistry 54, 740-749 | JIF2012: 3.499 | PubMed | PDBs: 4EJ2, 4EKE, 4EL54EKY & 4EL0
  • Nagy V, Felföldi N, Kónya B, Praly JP, Docsa T, Gergely P, Chrysina ED, Tiraidis C, Kosmopoulou MN, Alexacou KM, Konstantakaki M, Leonidas DD, Zographos SE, Oikonomakos NG, Kozmon S, Tvaroška I, Somsák L (2012) “N-(4-Substituted-benzoyl)-N'-(β-d-glucopyranosyl)ureas as inhibitors of glycogen phosphorylase: Synthesis and evaluation by kinetic, crystallographic, and molecular modelling methods” Bioorg Med Chem. 20, 1801-1816 | JIF2012: 2.903 | PubMed | PDBs: 2QNB, 2QLM, 2QLN, 2QN3, 2QN7, 2QN8 & 2QN9
  • Manta S, Xipnitou A, Kiritsis C, Kantsadi AL, Hayes JM, Skamnaki VT, Lamprakis C, Kontou M, Zoumpoulakis P, Zographos SE, Leonidas DD, Komiotis D. (2012) “3'-axial CH2 OH substitution on glucopyranose does not increase glycogen phosphorylase inhibitory potency. QM/MM-PBSA calculations suggest why.Chem Biol Drug Des. 79, 663-673 | JIF2012: 2.469 | PubMed | PDBs: 3SYM & 3SYR
  • Kantsadi AL, Hayes JM, Manta S, Skamnaki VT, Kiritsis C, Psarra AM, Koutsogiannis Z, Dimopoulou A, Theofanous S, Nikoleousakos N, Zoumpoulakis P, Kontou M, Papadopoulos G, Zographos SE, Komiotis D, Leonidas DD. (2012) “The σ-hole phenomenon of halogen atoms forms the structural basis of the strong inhibitory potency of C5 halogen substituted glucopyranosyl nucleosides towards glycogen phosphorylase b” ChemMedChem. 7, 722-732 | JIF2012: 2.835 | PubMed | PDBs: 3T3D, 3T3E, 3T3G, 3T3H & 3T3I
  • Christina E. Drakou, Anna Malekkou, Joseph M. Hayes, Carsten W. Lederer, Demetres D. Leonidas, Nikos G. Oikonomakos, Angus I. Lamond, Niovi Santama, and  Zographos SE* (2012) “hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies” Proteins 80, 206-220 | JIF2012: 3.337 | PubMed | PDBs: 3IIJ, 3IIK, 3IIL & 3IIM
  • Tsitsanou KE, Thireou T, Drakou CE, Koussis K, Keramioti MV, Leonidas DD, Eliopoulos E, Iatrou K, Zographos SE* (2012) “Anopheles gambiae odorant binding protein crystal complex with the synthetic repellent DEET: implications for structure-based design of novel mosquito repellents” Cellular  Molecular Life Sci. 69, 283-297 | JIF2012: 5.615 | PubMed | PDB: 3N7H


Book Chapter

  • Zographos, SE*, Eliopoulos, E, Thireou T and Tsitsanou, KE (2018). OBP-structure-aided repellent discovery: An emerging tool towards the prevention of mosquito-borne diseases in CRC book series QSAR in Environmental and Health Sciences "Computational design of chemicals for the control of mosquitoes and their diseases", Edited by James Devillers, Chapter 3, pp. 65-105. ISBN: 978-1498-7418-04 | Publisher


Short communications

  • Iatrou, K., Kythreoti, G., Thireou, T., Karoussiotis, C., Georgoussi, Z., Zographos, S.E., Liggri, P.G.V., Michaelakis, A., Schulz, S. (2022) Novel Anosmia-Inducing Compounds for Environmentally Friendly Mosquito Vector Control: Structural Determinants of ORco Ligands Antagonizing Odorant Receptor Function. Experimental Biology Annual Meeting (EB 2022), 2-5 April 2022, Philadelphia, PA, USA. FASEB J. 36, Suppl. 1 | JIF2021: 5.191
    DOI: 10.1096/fasebj.2022.36.S1.R4433
  • Liggri, P.G.V., Tsitsanou, K.E., Spyros E. Zographos, S.E.*(2019). Structural and biochemical studies of an Odorant Binding Protein from the malaria vector Anopheles gambiae. The 44th FEBS congress, 6-11 July 2019, Krakow, Poland. FEBS Open Bio, 9: P-27-070 | JIF2019: 2.141
    DOI: 10.1002/2211-5463.12675


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