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SAR and QSAR in Environmental Research Volume 29, 2018 - Issue 2: 9th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI-2017) - Part 4. Guest Editors: A.K. Saxena and M. Saxena
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9th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI-2017) - Part 4. Guest Editors: A.K. Saxena and M. Saxena

Docking analysis targeted to the whole enzyme: an application to the prediction of inhibition of PTP1B by thiomorpholine and thiazolyl derivativesFootnote$

C. A. GanouDepartment of Medical Laboratory Studies, School of Health and Medical Care, Alexander Technological Educational Institute of Thessaloniki, Thessaloniki, Greece
,
P. Th. EleftheriouDepartment of Medical Laboratory Studies, School of Health and Medical Care, Alexander Technological Educational Institute of Thessaloniki, Thessaloniki, GreeceCorrespondence[email protected]
,
P. Theodosis-NobelosDepartment of Medicinal Chemistry, School of Pharmacy, Aristotle University of Thessaloniki, Thessaloniki, Greece
,
M. FesatidouDepartment of Medicinal Chemistry, School of Pharmacy, Aristotle University of Thessaloniki, Thessaloniki, Greece
,
A. A. GeronikakiDepartment of Medicinal Chemistry, School of Pharmacy, Aristotle University of Thessaloniki, Thessaloniki, Greece
,
T. LialiarisSchool of Medicine, Democritus University of Thrace, Alexandroupolis, Greece
&
E. A. RekkaDepartment of Medicinal Chemistry, School of Pharmacy, Aristotle University of Thessaloniki, Thessaloniki, Greece
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Pages 133-149 | Received 03 Dec 2017, Accepted 05 Dec 2017, Published online: 19 Jan 2018

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Tomasz Kostrzewa, Kamlesh K Sahu, Magdalena Gorska-Ponikowska, Jack A Tuszynski & Alicja Kuban-Jankowska. (2018) Synthesis of small peptide compounds, molecular docking, and inhibitory activity evaluation against phosphatases PTP1B and SHP2. Drug Design, Development and Therapy 12, pages 4139-4147.
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Articles from other publishers (17)

Neetu Agrawal, Parth Dhakrey & Shilpi Pathak. (2023) A comprehensive review on the research progress of PTP1B inhibitors as antidiabetics . Chemical Biology & Drug Design.
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Denis A. Babkov, Olga N. Zhukovskaya, Anastasia A. Brigadirova, Diana R. Prilepskaya, Alexandra A. Kolodina, Abbas Haider S. Abbas, Anatolii S. Morkovnik, M. Elizabeth Sobhia, Ketan Ghosh & Alexander A. Spasov. (2023) Discovery and evaluation of biphenyl derivatives of 2‐iminobenzimidazoles as prototype dual PTP1B inhibitors and AMPK activators with in vivo antidiabetic activity . Chemical Biology & Drug Design 101:4, pages 896-914.
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. (2023) Systematic Review on Thiazole Compounds as Nanoparticles: Chemistry, Synthesis, Antimicrobial Activities, Therapeutic Investigation. Nanosistemi, Nanomateriali, Nanotehnologii 21:1.
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Sukhbir Singh, Ajmer Singh Grewal, Rupanshi Grover, Neelam Sharma, Bhawna Chopra, Ashwani Kumar Dhingra, Sandeep Arora, Sonika Redhu & Viney Lather. (2022) Recent updates on development of protein-tyrosine phosphatase 1B inhibitors for treatment of diabetes, obesity and related disorders. Bioorganic Chemistry 121, pages 105626.
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Anthi Petrou, Panagiotis Zagaliotis, Nikoleta F. Theodoroula, George A. Mystridis, Ioannis S. Vizirianakis, Thomas J. Walsh & Athina Geronikaki. (2022) Thiazole/Thiadiazole/Benzothiazole Based Thiazolidin-4-One Derivatives as Potential Inhibitors of Main Protease of SARS-CoV-2. Molecules 27:7, pages 2180.
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Anthi Petrou, Maria Fesatidou & Athina Geronikaki. (2021) Thiazole Ring—A Biologically Active Scaffold. Molecules 26:11, pages 3166.
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Kexin Chen, Xu Yao, Ting Tang, Li-Mei Chen, Can Xiao, Jing-Yi Wang, Hong-Fei Chen, Zhong-Xing Jiang, Yi Liu & Xing Zheng. (2020) Thiazole-based and thiazolidine-based protein tyrosine phosphatase 1B inhibitors as potential anti-diabetes agents. Medicinal Chemistry Research 30:3, pages 519-534.
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Sisir Nandi & Mridula Saxena. (2020) Potential Inhibitors of Protein Tyrosine Phosphatase (PTP1B) Enzyme: Promising Target for Type-II Diabetes Mellitus. Current Topics in Medicinal Chemistry 20:29, pages 2692-2707.
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Athina Geronikaki, Victor Kartsev, Phaedra Eleftheriou, Anthi Petrou, Jasmina Glamočlija, Anna Ciric & Marina Soković. (2020) Substituted 6,7-dimethoxy-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole- 3-1,1-dioxide Derivatives with Antimicrobial Activity and Docking Assisted Prediction of the Mechanism of their Antibacterial and Antifungal Properties. Current Topics in Medicinal Chemistry 20:29, pages 2681-2691.
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Ashish D. Patel, Thopallada Y. Pasha, Paras Lunagariya, Umang Shah, Tushar Bhambharoliya & Rati K. P. Tripathi. (2020) A Library of Thiazolidin‐4‐one Derivatives as Protein Tyrosine Phosphatase 1B (PTP1B) Inhibitors: An Attempt To Discover Novel Antidiabetic Agents. ChemMedChem 15:13, pages 1229-1242.
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Phaedra Eleftheriou, Dionysia Amanatidou, Anthi Petrou & Athina Geronikaki. (2020) In Silico Evaluation of the Effectivity of Approved Protease Inhibitors against the Main Protease of the Novel SARS-CoV-2 Virus. Molecules 25:11, pages 2529.
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Kanika Varshney, Amit K. Gupta, Arun Rawat, Rohit Srivastava, Akansha Mishra, Mridula Saxena, Arvind K. Srivastava, Sudha Jain & Anil K. Saxena. (2019) Synthesis, SAR and docking studies of substituted aryl phenylthiazolyl phenylcarboxamide as potential protein tyrosine phosphatase 1B ( PTP 1B) inhibitors . Chemical Biology & Drug Design 94:1, pages 1378-1389.
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Christophe Tratrat, Michelyne Haroun, Iakovos Xenikakis, Konstantinos Liaras, Evangelia Tsolaki, Phaedra Eleftheriou, Anthi Petrou, Bandar Aldhubiab, Mahesh Attimarad, Katharigatta N. Venugopala, Sree Harsha, Heba S. Elsewedy, Athina Geronikaki & Marina Soković. (2019) Design, Synthesis, Evaluation of Antimicrobial Activity and Docking Studies of New Thiazole-based Chalcones. Current Topics in Medicinal Chemistry 19:5, pages 356-375.
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Phaedra Eleftheriou, Athina Geronikaki & Anthi Petrou. (2019) PTP1b Inhibition, A Promising Approach for the Treatment of Diabetes Type II. Current Topics in Medicinal Chemistry 19:4, pages 246-263.
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Oriol Busquets, Àuria Eritja, Blanca M. López, Miren Ettcheto, Patricia R. Manzine, Rubén D. Castro‐Torres, Ester Verdaguer, Jordi Olloquequi, Manuel Vázquez‐Carrera, Carme Auladell, Jaume Folch & Antoni Camins. (2019) Role of brain c‐Jun N‐terminal kinase 2 in the control of the insulin receptor and its relationship with cognitive performance in a high‐fat diet pre‐clinical model. Journal of Neurochemistry 149:2, pages 255-268.
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Maria Fesatidou, Panagiotis Zagaliotis, Charalampos Camoutsis, Anthi Petrou, Phaedra Eleftheriou, Christophe Tratrat, Micheline Haroun, Athina Geronikaki, Ana Ciric & Marina Sokovic. (2018) 5-Adamantan thiadiazole-based thiazolidinones as antimicrobial agents. Design, synthesis, molecular docking and evaluation. Bioorganic & Medicinal Chemistry 26:16, pages 4664-4676.
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Evangelia Tsolaki, Phaedra Eleftheriou, Victor Kartsev, Athina Geronikaki & Anil K. Saxena. (2018) Application of Docking Analysis in the Prediction and Biological Evaluation of the Lipoxygenase Inhibitory Action of Thiazolyl Derivatives of Mycophenolic Acid. Molecules 23:7, pages 1621.
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