All Stories

  1. Quantum Mechanics-Based Ranking of Predicted Proteolysis Targeting Chimeras-Mediated Ternary Complexes

    Article • ACS Medicinal Chemistry Letters, February 2025, American Chemical Society (ACS)

    Tahsin F Kellici

  2. AI ‐Based Protein Structure Predictions and Their Implications in Drug Discovery

    Article • January 2024, Wiley

    Tahsin F Kellici

  3. Alchemical Free Energy Workflows for the Computation of Protein-Ligand Binding Affinities

    Article • September 2023, Springer Science + Business Media

    Tahsin F Kellici

  4. Fighting COVID-19 with Artificial Intelligence

    Article • November 2021, Springer Science + Business Media

    Tahsin F Kellici

  5. Therapeutic Potential of Targeting Plasminogen Activator Inhibitor-1 in COVID-19

    Article • Trends in Pharmacological Sciences, June 2021, Elsevier

    Tahsin F Kellici

  6. Small-molecule modulators of serine protease inhibitor proteins (serpins)

    Article • Drug Discovery Today, November 2020, Elsevier

    Tahsin F Kellici

  7. Structure–function analysis of naturally occurring apolipoprotein A-I L144R, A164S and L178P mutants provides insight on their role on HDL levels and cardiovascular risk

    Article • Cellular and Molecular Life Sciences, July 2020, Springer Science + Business Media

    Tahsin F Kellici

  8. New antitubercular isoniazid-based adamantane derivatives

    Article • Future Medicinal Chemistry, September 2019, Future Science

    Ioannis P. Papanastasiou , Tahsin F Kellici

  9. Inclusion of Quercetin in Gold Nanoparticles Decorated with Supramolecular Hosts Amplifies Its Tumor Targeting Properties

    Article • ACS Applied Bio Materials, March 2019, American Chemical Society (ACS)

    Tahsin F Kellici, Professor Mustafa Yilmaz

  10. 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

    Article • Molecular Pharmaceutics, February 2019, American Chemical Society (ACS)

    Tahsin F Kellici, Dr Georgia Valsami, Professor Nikolaos S. Thomaidis

  11. Drug-Membrane Interactions in the Renin Angiotensin System

    Article • January 2019, Springer Science + Business Media

    Tahsin F Kellici

  12. Three Regioselectively Acylated Flavonoid Aglycone Derivatives in Equimolar Yield at One Blow

    Article • ChemistrySelect, May 2018, Wiley

    Tahsin F Kellici

  13. Angiotensin II Type 1 Receptor Homology Models: A Comparison Between In Silico and the Crystal Structures

    Article • January 2018, Springer Science + Business Media

    Tahsin F Kellici

  14. Designing Natural Product Hybrids Bearing Triple Antiplatelet Profile and Evaluating Their Human Plasma Stability

    Article • January 2018, Springer Science + Business Media

    Tahsin F Kellici

  15. Molecular Dynamics Simulations on the Bioactive Molecule of hIAPP22–29 (NFGAILSS) and Rational Drug Design

    Article • January 2018, Springer Science + Business Media

    Tahsin F Kellici

  16. Rational Drug Design

    Article • January 2018, Springer Science + Business Media

    Tahsin F Kellici

  17. Tailoring Naringenin conjugates with amplified and triple antiplatelet activity profile: Rational design, synthesis, human plasma stability and In Vitro evaluation

    Article • Biochimica et Biophysica Acta (BBA) - General Subjects, August 2017, Elsevier

    Tahsin F Kellici

  18. In vitro Controlled Release from Solid Pharmaceutical Formulations

    Article • Drug Research, July 2017, Thieme Publishing Group

    Tahsin F Kellici, Ioannis P. Papanastasiou , Angeliki Siamidi

  19. Exploring the interactions of irbesartan and irbesartan–2-hydroxypropyl-β-cyclodextrin complex with model membranes

    Article • Biochimica et Biophysica Acta (BBA) - Biomembranes, June 2017, Elsevier

    Tahsin F Kellici, Dr Georgia Valsami, Professor Doros N. Theodorou

  20. In vitro Controlled Release from Solid Pharmaceutical Formulations of two new Adamantane Aminoethers with Antitubercular Activity (I).

    Article • Drug Research, May 2017, Thieme Publishing Group

    Tahsin F Kellici, Ioannis P. Papanastasiou , Angeliki Siamidi

  21. Open loop conformation of PhaZ7 Y105E mutant

    Article • May 2017, Protein Data Bank, Rutgers University

    Tahsin F Kellici

  22. Closed loop conformation of PhaZ7 Y105E mutant

    Article • May 2017, Protein Data Bank, Rutgers University

    Tahsin F Kellici

  23. Crystal structure analysis, covalent docking, and molecular dynamics calculations reveal a conformational switch in PhaZ7 PHB depolymerase

    Article • Proteins Structure Function and Bioinformatics, April 2017, Wiley

    Tahsin F Kellici

  24. Molecular requirements involving the human platelet protease-activated receptor-4 mechanism of activation by peptide analogues of its tethered-ligand

    Article • Platelets, March 2017, Taylor & Francis

    Tahsin F Kellici

  25. The use of J-coupling as a sole criterion to assign the total absolute stereochemistry of new pyrrolidinone class synthetic analogs, derived from S-pyroglutamic acid

    Article • Journal of Molecular Structure, February 2017, Elsevier

    Tahsin F Kellici

  26. Rational design and structure–activity relationship studies of quercetin–amino acid hybrids targeting the anti-apoptotic protein Bcl-xL

    Article • Organic & Biomolecular Chemistry, January 2017, Royal Society of Chemistry

    Tahsin F Kellici

  27. The dynamic properties of angiotensin II type 1 receptor inverse agonists in solution and in the receptor site

    Article • Arabian Journal of Chemistry, December 2016, Elsevier

    Tahsin F Kellici

  28. Mapping the interactions and bioactivity of quercetin⿿(2-hydroxypropyl)-β-cyclodextrin complex

    Article • International Journal of Pharmaceutics, September 2016, Elsevier

    Ms Maria V Chatziathanasiadou, Tahsin F Kellici, Dr Georgia Valsami

  29. Antiplatelet effect of the main triterpenoids of an olive leaf extract

    Article • Atherosclerosis, September 2016, Elsevier

    Tahsin F Kellici

  30. A combined NMR and molecular dynamics simulation study to determine the conformational properties of rat/mouse 35-55 myelin oligodendrocyte glycoprotein epitope implicated in the induction of experimental autoimmune encephalomyelitis

    Article • Journal of Biomolecular Structure and Dynamics, August 2016, Taylor & Francis

    Tahsin F Kellici

  31. Deconvoluting the Dual Antiplatelet Activity of a Plant Extract

    Article • Journal of Agricultural and Food Chemistry, June 2016, American Chemical Society (ACS)

    Tahsin F Kellici

  32. PRESS: PRotEin S-Sulfenylation server

    Article • Bioinformatics, May 2016, Oxford University Press (OUP)

    Tahsin F Kellici

  33. Calixarenes in Lipase Biocatalysis and Cancer Therapy

    Article • Current Organic Chemistry, March 2016, Bentham Science Publishers

    thomas mavromoustakos, Professor Mustafa Yilmaz, Tahsin F Kellici

  34. New hydrazones of 5-nitro-2-furaldehyde with adamantanealkanohydrazides: synthesis and in vitro trypanocidal activity

    Article • MedChemComm, January 2016, Royal Society of Chemistry

    Ioannis P. Papanastasiou , Tahsin F Kellici

  35. Leveraging NMR and X-ray Data of the Free Ligands to Build Better Drugs Targeting Angiotensin II Type 1 G-Protein Coupled Receptor

    Article • Current Medicinal Chemistry, December 2015, Bentham Science Publishers

    thomas mavromoustakos, Tahsin F Kellici

  36. Rosemary tea consumption results to anxiolytic- and anti-depressant-like behavior of adult male mice and inhibits all cerebral area and liver cholinesterase activity; phytochemical investigation and in silico studies

    Article • Chemico-Biological Interactions, July 2015, Elsevier

    Tahsin F Kellici

  37. Rational Drug Design Paradigms: The Odyssey for Designing Better Drugs

    Article • Combinatorial Chemistry & High Throughput Screening, April 2015, Bentham Science Publishers

    Dr Antreas Afantitis, thomas mavromoustakos, Tahsin F Kellici, Dr Sotiris K Hadjikakou

  38. Branched-chain sugar nucleosides: stereocontrolled synthesis and bioevaluation of novel 3′-C-trifluoromethyl and 3′-C-methyl pyranonucleosides

    Article • Carbohydrate Research, April 2015, Elsevier

    Tahsin F Kellici

  39. Investigation of the Interactions of Silibinin with 2-Hydroxypropyl-β-cyclodextrin through Biophysical Techniques and Computational Methods

    Article • Molecular Pharmaceutics, March 2015, American Chemical Society (ACS)

    Ms Maria V Chatziathanasiadou, Tahsin F Kellici, Dr Georgia Valsami

  40. Rational Drug Design and Synthesis of Molecules Targeting the Angiotensin II Type 1 and Type 2 Receptors

    Article • Molecules, March 2015, MDPI AG

    thomas mavromoustakos, Tahsin F Kellici

  41. A novel synthetic luteinizing hormone-releasing hormone (LHRH) analogue coupled with modified β-cyclodextrin: Insight into its intramolecular interactions

    Article • Biochimica et Biophysica Acta (BBA) - General Subjects, January 2015, Elsevier

    Tahsin F Kellici

  42. The application of solid-state NMR spectroscopy to study candesartan cilexetil (TCV-116) membrane interactions. Comparative study with the AT1R antagonist drug olmesartan

    Article • Biochimica et Biophysica Acta (BBA) - Biomembranes, October 2014, Elsevier

    Tahsin F Kellici, MRS PINELOPI KOLOKOTRONI