Relevant bibliographies by topics / Structure-based drug design

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  2. Dissertations / Theses
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Academic literature on the topic 'Structure-based drug design'

Author: Grafiati
Published: 4 June 2021
Last updated: 25 July 2025

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Journal articles on the topic "Structure-based drug design"

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Amzel, L. Mario. "Structure-based drug design." Current Opinion in Biotechnology 9, no. 4 (1998): 366–69. http://dx.doi.org/10.1016/s0958-1669(98)80009-8.

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Johnson, L. N. "Structure based drug design." Acta Crystallographica Section A Foundations of Crystallography 49, s1 (1993): c4. http://dx.doi.org/10.1107/s0108767378099882.

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HENRY, CELIA M. "STRUCTURE-BASED DRUG DESIGN." Chemical & Engineering News 79, no. 23 (2001): 69–78. http://dx.doi.org/10.1021/cen-v079n023.p069.

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Colman, Peter M. "Structure-based drug design." Current Opinion in Structural Biology 4, no. 6 (1994): 868–74. http://dx.doi.org/10.1016/0959-440x(94)90268-2.

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Zhang, Changsheng, and Luhua Lai. "Towards structure-based protein drug design." Biochemical Society Transactions 39, no. 5 (2011): 1382–86. http://dx.doi.org/10.1042/bst0391382.

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Structure-based drug design for chemical molecules has been widely used in drug discovery in the last 30 years. Many successful applications have been reported, especially in the field of virtual screening based on molecular docking. Recently, there has been much progress in fragment-based as well as de novo drug discovery. As many protein–protein interactions can be used as key targets for drug design, one of the solutions is to design protein drugs based directly on the protein complexes or the target structure. Compared with protein–ligand interactions, protein–protein interactions are more
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Nishigaya, Yuki, Tadashi Satoh, Yoshiki Tanaka, and Simon Miller. "Agrochemical structure-based drug design." Japanese Journal of Pesticide Science 48, no. 2 (2023): 159–64. http://dx.doi.org/10.1584/jpestics.w23-36.

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Whittle, P. J., and T. L. Blundell. "Protein Structure-Based Drug Design." Annual Review of Biophysics and Biomolecular Structure 23, no. 1 (1994): 349–75. http://dx.doi.org/10.1146/annurev.bb.23.060194.002025.

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Fesik, StephenW. "NMR structure-based drug design." Journal of Biomolecular NMR 3, no. 3 (1993): 261–69. http://dx.doi.org/10.1007/bf00212513.

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Sun, Hao, and Dennis O. Scott. "Structure-based Drug Metabolism Predictions for Drug Design." Chemical Biology & Drug Design 75, no. 1 (2010): 3–17. http://dx.doi.org/10.1111/j.1747-0285.2009.00899.x.

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Liang, Zhongjie, and Guang Hu. "Protein Structure Network-based Drug Design." Mini-Reviews in Medicinal Chemistry 16, no. 16 (2016): 1330–43. http://dx.doi.org/10.2174/1389557516999160612163350.

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Dissertations / Theses on the topic "Structure-based drug design"

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Ward, Richard. "Targeting inositol monophosphatase in structure-based drug design." Thesis, University of Birmingham, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.289291.

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Mukherjee, Sreya. "Applications of Molecular Modelling and Structure Based Drug Design in Drug Discovery." Scholar Commons, 2016. http://scholarcommons.usf.edu/etd/6331.

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Calcium ions have important roles in cellular processes including intracellular signaling, protein folding, enzyme activation and initiation of programmed cell death. Cells maintain low levels of calcium in their cytosol in order to regulate these processes. When activation of calcium-dependent processes is needed, cells can release calcium stored in the endoplasmic reticulum (ER) into the cytosol to initiate the processes. This can also initiate formation of plasma membrane channels that allow entry of additional calcium from the extracellular milieu. The change in calcium levels is referred
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Vankayala, Sai Lakshmana Kumar. "Computational Approaches for Structure Based Drug Design and Protein Structure-Function Prediction." Scholar Commons, 2013. http://scholarcommons.usf.edu/etd/4601.

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This dissertation thesis consists of a series of chapters that are interwoven by solving interesting biological problems, employing various computational methodologies. These techniques provide meaningful physical insights to promote the scientific fields of interest. Focus of chapter 1 concerns, the importance of computational tools like docking studies in advancing structure based drug design processes. This chapter also addresses the prime concerns like scoring functions, sampling algorithms and flexible docking studies that hamper the docking successes. Information about the different kin
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Wang, Feng. "Structure-based drug mechanism study and inhibitor design targeting tuberculosis." [College Station, Tex. : Texas A&M University, 2007. http://hdl.handle.net/1969.1/ETD-TAMU-1439.

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Rogers, Graeme W. "The development of sialidase inhibitors using structure-based drug design." Thesis, University of St Andrews, 2017. http://hdl.handle.net/10023/15516.

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The sialidases/neuraminidases represent a family of enzymes whose function is important in the pathogenicity of bacteria and the virulence of influenza. Relenza and Tamiflu represent two drugs that were developed using structure-based drug design (SBDD) and computational-assisted drug design (CADD). These drugs target the active site of the influenza neuraminidase A and B (GH-34 family). Sialidases in the GH-33 family could represent novel drug targets for the treatment of bacterial or parasitic infection. SBDD was employed to develop chemical tools of two GH-33 sialidases, NanB and TcTS. NanB
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Pressman, Julie Schames. "Structure-based drug design : what to do when you don't have a structure /." Diss., Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC campuses, 2005. http://wwwlib.umi.com/cr/ucsd/fullcit?p3170248.

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Jakasaniya, Aka Patel Brijesh M. "Structure based design of inhibitors targeting galectin-8." Thesis, Griffith University, 2020. http://hdl.handle.net/10072/397041.

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Galectins are β-galactoside binding proteins that are found in all type of living organisms, and involved in many physiological functions such as inflammation, immune responses, cell adhesion, growth and migration, apoptosis, etc. Due to their association with the progression of several metabolic and disease conditions, galectins are recognised as important targets for the drug development. Galectin-8 is involved in several biological functions such as cell adhesion and growth, immune responses, inflammation, new blood vessel formation, osteoblast and osteoclast differentiation, cancer growth
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Lewandowski, Eric Michael. "Structure Based Drug Design Targeting Bacterial Antibiotic Resistance and Alzheimer's Disease." Scholar Commons, 2015. http://scholarcommons.usf.edu/etd/5982.

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Structure based drug design is a rapidly advancing discipline that examines how protein targets structurally interact with small molecules, or known inhibitors, and then uses this information to lead inhibitor optimization efforts. In the case of novel inhibitors, protein structural information is first obtained via X-ray crystallography, NMR studies, or a combination of both approaches. Then, computational molecular docking is often used to screen, in silico, millions of small molecules and calculate the potential interactions they may have with the target protein’s binding pocket, in hopes o
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Adie, Jillian E. "Structure-based drug design of 11β-hydroxysteroid dehydrogenase type 1 inhibitors". Thesis, University of Edinburgh, 2010. http://hdl.handle.net/1842/4673.

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The enzyme 11β-Hydroxysteroid Dehydrogenase 1 (11β-HSD1) catalyses the intracellular biosynthesis of the active glucocorticoid cortisol. Tissue specific dysregulation of the enzyme has been implicated in the development of metabolic syndrome and other associated diseases. Experiments with transgenic mice and prototype inhibitors show that inhibition of 11β-HSD1 in visceral adipose tissue and liver leads to a resistance of diet-induced hyperglycemia and a favourable lipid and lipoprotein profile as compared to controls. 11β-HSD1 inhibition has thus been proposed as an effective strategy to decr
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Jayawickrama, Gayan. "Study and Design of Kynurenine Aminotransferase-II Inhibitors for the Treatment of Neurological Conditions." Thesis, The University of Sydney, 2018. http://hdl.handle.net/2123/20270.

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The majority of tryptophan metabolism passes through the kynurenine pathway. Metabolic imbalances in this pathway are implicated disease. KYNA, transaminated by the kynurenine aminotransferase (KAT) enzymes, is elevated in patients with schizophrenia. Schizophrenia is a neuropsychiatric disease with limited treatment options and debilitating symptoms. Glutamatergic systems are thought to have a significant role in its pathogenesis, providing a basis by which KYNA, an endogenous glutamate antagonist, is implicated in the disease. Four pyridoxal 5’-phosphate-dependent homologues of KAT are repor
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Books on the topic "Structure-based drug design"

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Codding, Penelope W., ed. Structure-Based Drug Design. Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0.

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Pandi, Veerapandian, ed. Structure-based drug design. Marcel Dekker, 1997.

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Marti, Marcelo A., Adrian Gustavo Turjanski, and Dario Fernández Do Porto, eds. Structure-Based Drug Design. Springer International Publishing, 2024. http://dx.doi.org/10.1007/978-3-031-69162-1.

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Harren, Jhoti, and Leach Andrew R, eds. Structure-based drug discovery. Springer, 2007.

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Merz, Kenneth M. Drug design: Structure- and ligand-based approaches. Cambridge University Press, 2010.

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1959-, Merz Kenneth M., Ringe Dagmar, and Reynolds Charles H. 1957-, eds. Drug design: Structure and ligand-based approaches. Cambridge University Press, 2010.

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W, Codding Penelope, North Atlantic Treaty Organization. Scientific Affairs Division., and NATO Advanced Study Institute on Experimental and Computational Approaches to Structure-Based Drug Design (1996 : Erice, Italy), eds. Structure-based drug design: Experimental and computational approaches. Kluwer Academic Publishers, 1998.

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Ward, Richard Andrew. Targeting Inositol Monophosphatase in structure-based drug design. University of Birmingham, 2002.

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1960-, Ladbury John E., and Connelly Pat R. 1961-, eds. Structure-based drug design: Thermodynamics, modeling, and strategy. Landes Bioscience, 1997.

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Du, Qishi. Developments in structure-based theoretical modeling of hydrophobicity for computer-aided drug design. Laurentian University Press, 1995.

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Book chapters on the topic "Structure-based drug design"

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Qu, Kunbin, and Natasja Brooijmans. "Structure-Based Drug Design." In Computational Methods for Protein Structure Prediction and Modeling. Springer New York, 2007. http://dx.doi.org/10.1007/978-0-387-68825-1_5.

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Duax, W. L., and J. F. Griffin. "Steroid Hormone Structure, Receptor Binding and Activity: Empirical Drug Design." In Structure-Based Drug Design. Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_1.

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Benedetti, Ettore, Rosa Iacovino, and Michele Saviano. "The Use of Uncoded α-Amino Acids Residues in Drug Design." In Structure-Based Drug Design. Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_10.

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Cole, Jason C., Jos P. M. Lommerse, R. Scott Rowland, Robin Taylor, and Frank H. Allen. "Use of the Cambridge Structural Database to Study Non-Covalent Interactions: Towards a Knowledge Base of Intermolecular Interactions." In Structure-Based Drug Design. Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_11.

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Pauptit, Richard, Simon Weston, Siân Rowsell, Dean Derbyshire, and Alec Tucker. "Immunoconjugates as Anti-Cancer Agents." In Structure-Based Drug Design. Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_12.

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Hendrickson, Thomas F., and Lana Schaffer. "Database Searching using Protein Crystal Structures and Molecular Docking Procedures." In Structure-Based Drug Design. Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_13.

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King, Ross D., Michael J. E. Sternberg, Stephen H. Muggleton, and Ashwin Srinivasan. "Recent Developments in Applying Machine Learning to Drug Design." In Structure-Based Drug Design. Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_14.

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Grootenhuis, Peter D. J., and Constant A. A. Boeckel. "Structure-Based Design of Novel Heparin-Like Anticoagulants." In Structure-Based Drug Design. Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_15.

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Duax, W. L., D. Ghosh, and V. Pletnev. "Structure, Mechanism of Action and Inhibition of Dehydrogenase Enzymes." In Structure-Based Drug Design. Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_16.

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Watson, K. A. "In Search of Hypoglycaemic Agents for the Treatment of Non-Insulin Dependent Diabetes Mellitus." In Structure-Based Drug Design. Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_17.

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Conference papers on the topic "Structure-based drug design"

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Chaudhary, Shashank, Devyani Chudasama, Jaiprakash Verma, and Swati Jain. "Analysing Scoring Functions for Molecular Structure-based Drug Design." In 2024 First International Conference on Technological Innovations and Advance Computing (TIACOMP). IEEE, 2024. http://dx.doi.org/10.1109/tiacomp64125.2024.00036.

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Houston, Douglas R., Ian Eggleston, Martin G. Peter, Bjornar Synstad, Vincent G. H. Eijsink, and Daan M. F. van Aalten. "CHITINASES - REACTION MECHANISM AND STRUCTURE-BASED DRUG DESIGN." In XXIst International Carbohydrate Symposium 2002. TheScientificWorld Ltd, 2002. http://dx.doi.org/10.1100/tsw.2002.472.

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Barrett, Kayleigh, Samantha Michaels, Edelmar Navaluna, et al. "P316 Structure-based drug design forneisseria gonorrhoeae, chlamydia trachomatis,andmycoplasma genitalium." In Abstracts for the STI & HIV World Congress (Joint Meeting of the 23rd ISSTDR and 20th IUSTI), July 14–17, 2019, Vancouver, Canada. BMJ Publishing Group Ltd, 2019. http://dx.doi.org/10.1136/sextrans-2019-sti.427.

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Unterlass, Judith E., Nabila Aljufri, Sophie Bex, Celine Cano, Martin E. M. Noble, and Nicola J. Curtin. "Abstract 2448: Towards structure-based drug design of 3-phosphoglycerate dehydrogenase inhibitors." In Proceedings: AACR 106th Annual Meeting 2015; April 18-22, 2015; Philadelphia, PA. American Association for Cancer Research, 2015. http://dx.doi.org/10.1158/1538-7445.am2015-2448.

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Babu, M. Naresh, R. Bhramaramba, and Allam Appa Rao. "Structure based drug design studies on urokinase plasminogen activator inhibitors using AutoDock." In the Second International Conference. ACM Press, 2012. http://dx.doi.org/10.1145/2393216.2393301.

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Srinivasu, Nulaka, K. V. V. Satyanarayana, and N. Gopala Krishna Murthy. "Structure based drug design studies on CDK2 amino pyrazole inhibitors using Autodock Tools." In 2014 Conference on IT in Business, Industry and Government (CSIBIG). IEEE, 2014. http://dx.doi.org/10.1109/csibig.2014.7056965.

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Patil, Vaishali, and Neeraj Masand. "Applications of Structure Based Drug Design Approaches towards Design and Development of Calcium Channel Blockers." In MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition. MDPI, 2017. http://dx.doi.org/10.3390/mol2net-03-05051.

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Omix Yu-Chian Chen, Guan-Wen Chen, and Winston Yu-Chen Chen. "A novel strategy for the structure-based drug design of heat shock protein 90 inhibitors." In 2008 IEEE International Joint Conference on Neural Networks (IEEE World Congress on Computational Intelligence). IEEE, 2008. http://dx.doi.org/10.1109/ijcnn.2008.4633952.

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Cumaraswamy, Abbarna A., and Patrick T. Gunning. "Abstract B224: Structure-based drug design of signal transducers and activator of transcription 5 inhibitors." In Abstracts: AACR-NCI-EORTC International Conference: Molecular Targets and Cancer Therapeutics--Nov 12-16, 2011; San Francisco, CA. American Association for Cancer Research, 2011. http://dx.doi.org/10.1158/1535-7163.targ-11-b224.

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Grohn, Matti T., and Tommi N. Nyronen. "Integration and utilization of different visualization methods and devices in a structure-based drug design process." In Electronic Imaging 2003, edited by Robert F. Erbacher, Philip C. Chen, Jonathan C. Roberts, Matti T. Groehn, and Katy Boerner. SPIE, 2003. http://dx.doi.org/10.1117/12.479676.

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Reports on the topic "Structure-based drug design"

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DeLucas, Lawrence J. Crystallization, X-Ray Structure Determination and Structure-Based Drug Design for Targeted Malarial Enzymes. Defense Technical Information Center, 1998. http://dx.doi.org/10.21236/ada360337.

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