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Dissertations / Theses on the topic 'Drug design'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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1

Attardo, Giorgio G. (Giorgio Giovanni). "Drug design and synthesis of novel heteroanthracycline antitumor drugs." Thesis, McGill University, 1990. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=74641.

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Novel heteroanthracycline antitumor drugs were designed based on structure activity relationship studies and known mechanisms of drug action. Their preparation required the development of a general synthetic approach.<br>After extensive studies, three methodologies were developed for the general synthetic plan. The first method involved photoenolisation of 2,5-dimethoxybenzaldehyde and SO$ sb2$ entrapment of the o-quinodimethane to give 4,7-dimethoxy-1-hydroxy-1,3-dihydrobenzo(2,3-c) thiophene-2,2-dioxide. This compound served as a general intermediate towards the synthesis of several heteroan

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2

Clifton, Heather A. "Computational antiviral drug design." Muncie, Ind. : Ball State University, 2009. http://cardinalscholar.bsu.edu/645.

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3

Kandil, Sahar. "Computer aided drug design." Thesis, Cardiff University, 2009. http://orca.cf.ac.uk/55845/.

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Hepatitis C virus (HCV) chronic infection represents one of the major and still unresolved health problems. HCV infecting 3% of the world population, leading to chronic hepatitis, liver cirrhosis and hepatocellular carcinoma in addition to the extrahepatic manifestations. No efficient therapy exists; the standard dual treatment with peg IFN-alpha and ribavirin is effective only in 55% of the selected cases with substantial side effects in addition to the high cost. To date, there is no vaccine against HCV due to the high variability of the RNA genome. NS3 helicase is one of the non-structural

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4

Zhang, Huarui. "Design, synthesis and activity evaluation of novel exosome inhibitors." HKBU Institutional Repository, 2020. https://repository.hkbu.edu.hk/etd_oa/849.

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Background: Exosomes are extracellular vesicles (EVs) that produced in the endosomal compartment of most eukaryotic cells, and have observed increasing attentions over the past decades. They play important roles in cell- to-cell communications, they can carry varieties of substances, like proteins, nucleic acids and lipids, to the target cells they encounter. These cargos could influence the function of recipient cells. This novel mode of intercellular communication is found to be of critical importance to many cellular activities. However, exosomes are involved in various diseases processes.

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5

Ma, Haiqiu. "The formulation, manufacture and evaluation of capsules containing freeze-dried aqueous extracts of Leonotis Leonorus or Mentha Longifolia." Thesis, University of the Western Cape, 2006. http://etd.uwc.ac.za/index.php?module=etd&action=viewtitle&id=gen8Srv25Nme4_3777_1181559333.

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<p>Leonotis leonorus and Mentha longifolia are two herbs commonly used in South Africa, mostly in oral liquid dosage forms. Several disadvantages are associated with these traditional dosage forms which can perhaps be remedied by using an appropriate oral solid dosage form, provided the actual plant material in the latter still resemble, as closely as possible, the traditionally used material and provide products of suitable pharmaceutical quality. The objectives of this study were to prepare and evaluate the pharmaceutical suitability of the freeze-dried aqueous extracts of Leonotis Leonorus

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6

Remez, Vinogradov Nikita 1985. "Drug design at biological systems level." Doctoral thesis, Universitat Pompeu Fabra, 2016. http://hdl.handle.net/10803/396352.

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The explosion of reductionist approaches at the end of the XXth century allowed for fast and high-throughput data collection in pharmaceutical industry, but did not deliver the expected gain in drug discovery performance. Omics methodologies were able to provide large amounts of information on one-to-one cause-effect relationships, but could not explain some of the complex effects in living organisms and biological systems in general. This Thesis, performed in the premises of an emerging biotech company, represents an attempt to explore the impact of an integrative systems approach to

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7

Scott, Richard Kennedy. "Protein modelling and associated drug design." Thesis, University of Newcastle Upon Tyne, 1993. http://hdl.handle.net/10443/523.

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Part one covers an investigation into the secondary and tertiary structure of the protein Xylanase found in Pseudomonasfluorescens subspecies cellulosa. Part two documents the Computer Aided Design of Novel Quinazoline Antifolates for the enzyme Thyrnidylate Synthase. Partone Mature Xylanase protein consists of two distinct regions - a cellulose binding domain and a catalytic region, A and B respectively. Computer modelling of tertiary structure from primary sequence and secondary turn information proved difficult in the absence of experimental X-ray crystal data. Consequently,a series of modi

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8

Gustafsson, Jörgen. "Synthesis of cyclohexenedicarbaldehydes and studies of their biologic activity." Lund : Organic Chemistry 2, Lund Institute of Technology, University of Lund, 1994. http://books.google.com/books?id=ULpqAAAAMAAJ.

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9

Moorad, Razia. "Computer-aided drug design and the biological evaluation of anti-cancer drugs." Doctoral thesis, University of Cape Town, 2016. http://hdl.handle.net/11427/20715.

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Computer-aided drug design has become a promising alternative to high-throughput screening by identifying potential hits in silico for in vitro evaluation. In this study a combination of ligand-based and structure-based virtual screening was performed to identify in silico hits. This was based on finding similar inhibitors to 6-amino-4-(4-phenoxyphenylethylamino) quinazoline, a potent inhibitor of the Nuclear Factor kappa B (NF-κB), a transcription factor that has a pivotal role in cancer survival and Pentamidine, an anti-parasitic drug that has recently been demonstrated to possess tumour-kil

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10

IACUZZI, VALENTINA. "Design of detection systems for the therapeutic drug monitoring of anticancer drugs." Doctoral thesis, Università degli Studi di Trieste, 2020. http://hdl.handle.net/11368/2967986.

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Considerato che la maggior parte dei farmaci antitumorali risulta caratterizzata da un'alta variabilità interindividuale nelle concentrazioni plasmatiche, che si riflette sull'efficacia del trattamento, durante il progetto di dottorato qui descritto sono state sviluppate tecniche per il loro monitoraggio terapeutico (TDM). In primo luogo, è stato sviluppato, validato e cross-validato un metodo LC-MS/MS per la quantificazione di imatinib (IMA) e del suo metabolita attivo, norimatinib (norIMA), in pazienti affetti da tumore stromale gastrointestinale utilizzando la tecnica del dried blood spot (

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11

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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12

Chieng, Heng Liang Norman, and n/a. "Amorphous drug preparation using ball milling." University of Otago. School of Pharmacy, 2008. http://adt.otago.ac.nz./public/adt-NZDU20081209.162001.

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Polymorphism and crystallinity are now recognised as important issues in drug development. This is shown by the increased amount of research in this area over recent years. In pharmaceutical development milling is an important unit operation for size reduction to improve powder handling, processing and dissolution rate. The aim of this thesis was to investigate the effect of ball milling (and cryo-milling) on the solid state properties, including amorphous drug formation, of pharmaceutical solids. Milling was carried out using an oscillatory ball mill (Mixer Mill MM301, Retsch GmbH & Co., Ge

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13

Pan, Xiaolei. "THE SLC22 TRANSPORTER FAMILY: NOVEL INSIGHTS TO ROLES IN DRUG EFFICACY, DRUG-DRUG INTERACTIONS AND MOOD DISORDERS." VCU Scholars Compass, 2015. http://scholarscompass.vcu.edu/etd/3983.

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Numerous studies have demonstrated the impact of organic cation (OCTs; SLC22 family) and anion transporters (OATs; SLC22 family) on the efficacy and safety of clinically important therapeutics. To be specific, OCTs and OATs have been identified as determinants for uptake into and secretion from enterocytes, hepatocytes and renal proximal tubular cells, and are frequent sites of drug-drug interaction (DDI). In addition, OCTs expressed in brain are components of the low-affinity, high capacity clearance pathway (uptake-2) for biogenic monoamine neurotransmitters. As a result, OCTs may represent

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14

Durrant, Jacob Devin. "Computational drug design applied to neglected disease." Diss., [La Jolla] : University of California, San Diego, 2010. http://wwwlib.umi.com/cr/ucsd/fullcit?p3404614.

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Thesis (Ph. D.)--University of California, San Diego, 2010.<br>Title from first page of PDF file (viewed June 7, 2010). Available via ProQuest Digital Dissertations. Vita. Includes bibliographical references (leaves 213-239).

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15

Majewski, Maciej. "Implications of Structural Stability for Drug Design." Doctoral thesis, Universitat de Barcelona, 2020. http://hdl.handle.net/10803/671195.

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The relevance of structural stability in drug design has been shown by the use of DUck in virtual screening campaign, as reported previously. The method provides a fast and easy way to assess hydrogen bond-based structural stability of a complex. However, the cause and consequences of structural stability in molecular recognition remain unknown. DUck still has some limitations and requires previous knowledge about the system to be applied successfully. GENERAL OBJECTIVE: The general objective of this work is to deepen the knowledge of the role and origin of structural stability in mole

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16

Ahrenstedt, Lage. "Drug Eluting Hydrogels : Design, Synthesis and Evaluation." Doctoral thesis, University of Cape Town, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-36503.

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Hydrogels have successfully proved themselves useful for drug delivery applications and several delivery routes have been developed over the years. The particular interest in this work was to design, synthesise and evaluate in situ forming drug eluting hydrogels, which have the potential to ameliorate the healing of cardiovascular diseases. With this aim the anti-inflammatory and immunosuppressant drugs rapamycin (Ra) and dexamethasone (Dex) were made water soluble by conjugation with polyethylene glycol (PEG). Ra was attached pendant from the terminal of PEGs while Dex was incorporated into d

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17

Jenvey, Michelle Catherine. "Structure led drug design for the pentraxins." Thesis, University of Southampton, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.439382.

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18

Sousa, Helena Alexandra Soares Gama de. "Drug utilization studies: Focus on questionnaire design." Master's thesis, Faculdade de Medicina da Universidade do Porto, 2007. http://hdl.handle.net/10216/22094.

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19

Abdel-Ghany, Yasser S. "Osmotic processes as targets for drug design /." The Ohio State University, 1992. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487779439847767.

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20

Wei, Yaoming. "Peptide deformylase : characterization and antibacterial drug design /." The Ohio State University, 2000. http://rave.ohiolink.edu/etdc/view?acc_num=osu148819244742765.

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21

Lee, Jae Hwan. "DRUG DELIVERY MICRODEVICE: DESIGN, SIMULATION, AND EXPERIMENTS." VCU Scholars Compass, 2013. http://scholarscompass.vcu.edu/etd/3100.

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Ocular diseases such as glaucoma, age-related macular degeneration (AMD), diabetic retinopathy, and retinitis pigmentosa require drug management in order to prevent blindness and affecting millions of adults in US and worldwide. There is an increasing need to develop devices for drug delivery to address ocular diseases. This research focused on an implantable ocular drug delivery device design, simulation and experiments with design requirements including constant diffusion rate, extended period of time operation, the smallest possible volume of device and reservoir. The drug delivery device c

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22

Palm, Apergi Caroline. "Design and evaluation of drug delivery vehicles." Doctoral thesis, Stockholm : Department of Neurochemistry, Stockholm university, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-8256.

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23

Creighton, Christopher John. "Reagents and reactions for peptidomimetic drug design /." Diss., Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC campuses, 2000. http://wwwlib.umi.com/cr/ucsd/fullcit?p9970682.

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24

Wheate, Nial. "Pharmaceutical Drug Design, Formulation, Testing, and Use." Thesis, The University of Sydney, 2020. https://hdl.handle.net/2123/22097.

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This compilation of my research has been organised into nine different sections based on the sub-themes on my research into medicines. Section one deals principally with my research and impact into the examination of the interactions of multinuclear platinum-based chemotherapy drugs with their cellular target, DNA. Section two covers the design and synthesis of new drugs including multinuclear platinum drugs and a new drug class of platinum drugs based on phenanthroline. Section three details my investigation of macrocycles as potential delivery vehicles for drugs; in particular, the deli

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25

Parrill, Abby Louise 1970. "Applications of artificial intelligence in drug design." Diss., The University of Arizona, 1996. http://hdl.handle.net/10150/290612.

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Computer-aided drug design is a rapidly growing area of research. The design process can proceed from two angles: either the three-dimensional structure of the biological target is known, or it is unknown. Thus the area of computer-aided drug design can be separated into a number of problems. One problem is determining the structure of a biomolecule from experimental data, as is done in chapter 2 for colominic acid polylactone. These studies determined that there are two helical structures consistent with spectral data A second problem is designing a ligand complementary to the three-dimension

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26

Sousa, Helena Alexandra Soares Gama de. "Drug utilization studies: Focus on questionnaire design." Dissertação, Faculdade de Medicina da Universidade do Porto, 2007. http://hdl.handle.net/10216/22094.

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27

McCallum, Emma Clare. "Adaptive phase II clinical trial design using nonlinear dose-response models." Thesis, University of Cambridge, 2015. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.709013.

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28

Nyberg, Joakim. "Practical Optimal Experimental Design in Drug Development and Drug Treatment using Nonlinear Mixed Effects Models." Doctoral thesis, Uppsala universitet, Institutionen för farmaceutisk biovetenskap, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-160481.

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The cost of releasing a new drug on the market has increased rapidly in the last decade. The reasons for this increase vary with the drug, but the need to make correct decisions earlier in the drug development process and to maximize the information gained throughout the process is evident. Optimal experimental design (OD) describes the procedure of maximizing relevant information in drug development and drug treatment processes. While various optimization criteria can be considered in OD, the most common is to optimize the unknown model parameters for an upcoming study. To date, OD has mainly

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29

Dolla, William Jacob Spenner Becker Bryan R. "Drug diffusion and structural design criteria for conventional and auxetic drug-eluting stents." Diss., UMK access, 2006.

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Thesis (Ph. D.)--School of Computing and Engineering and Dept. of Chemistry. University of Missouri--Kansas City, 2006.<br>"A dissertation in engineering and chemistry." Advisor: Bryan R. Becker. Typescript. Vita. Description based on contents viewed Jan. 26, 2007; title from "catalog record" of the print edition. Includes bibliographical references (leaves 127-130). Online version of the print edition.

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30

Schreiber, Kimberly C. M. "Assay development for use in drug discovery against Bovine Trichomoniasis." Scholarly Commons, 2007. https://scholarlycommons.pacific.edu/uop_etds/650.

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Bovine trichomoniasis is a venereal disease that affects cattle. The causative agent of this disease is Tritrichomonas foetus, a flagellated protozoan. There is no current FDA approved treatment for this disease. The purpose of this study was to develop new compound screening assays that will make the discovery of new compounds faster and more accurate. The CellTiter-Glo Luminescent Cell Viability Assay, a high throughput screening (HTS) assay from Promega, was found to be as affective at measuring cytotoxicity as traditional assaying techniques. For the first time. preen florescent protein. a

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31

Skarbek, Charles. "Synthèse et évaluation pharmacologique d’analogues préactivés de l’ifosfamide : prodrogues et nanoparticules à visée antitumorale." Thesis, Université Paris-Saclay (ComUE), 2017. http://www.theses.fr/2017SACLS247/document.

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L’ifosfamide (IFO) et le cyclophosphamide (CPM) sont des oxazaphosphorines, prodrogues nécessitant une bioactivation pour être actif. Dans le cas de l’IFO, sa biotransformation conduit à une faible libération du composé hydroxylé actif accompagnée d’effets secondaires toxiques. Des analogues préactivés de l’IFO avec des chaines C1-C30 saturées ou non ont été développés, afin de contourner ces toxicités liées à la voie toxicogène du métabolisme. Dans le cadre de la stratégie de pharmacomodulation de l’IFO, l’évaluation cytotoxique de ces composés synthétisés a été réalisée in vitro sur des lign

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32

Sun, Jian. "Computer-aided drug design for influenza A virus." Click to view the E-thesis via HKUTO, 2009. http://sunzi.lib.hku.hk/hkuto/record/B44205156.

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33

Skalic, Miha 1990. "Deep learning for drug design : modeling molecular shapes." Doctoral thesis, Universitat Pompeu Fabra, 2019. http://hdl.handle.net/10803/667503.

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Designing novel drugs is a complex process which requires finding molecules in a vast chemical space that bind to a specific biomolecular target and have favorable physio-chemical properties. Machine learning methods can leverage previous data and use it for new predictions helping the processes of selection of molecule candidate without relying exclusively on experiments. Particularly, deep learning can be applied to extract complex patterns from simple representations. In this work we leverage deep learning to extract patterns from three-dimensional representations of molecules. We apply cl

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34

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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35

Calabrò, Gaetano. "Accelerating molecular simulations : implication for rational drug design." Thesis, University of Edinburgh, 2015. http://hdl.handle.net/1842/16439.

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The development and approval of new drugs is an expensive process. The total cost for the approval of a new compound is on average 1.0 - 1.2 billion dollars and the entire process lasts about 12 - 15 years. The main difficulties are related to poor pharmacokinetics, lack of efficacy and unwanted side effects. These problems have naturally led to the question if new and alternative methodologies can be developed to find reliable and low cost alternatives to existing practices. Nowadays, computer-assisted tools are used to support the decision process along the early stages of the drug discovery

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36

Jin, Albert Yongwon. "Biologically driven molecular modeling for anticonvulsant drug design." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1998. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape10/PQDD_0007/NQ42948.pdf.

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37

Sun, Jian, and 孙健. "Computer-aided drug design for influenza A virus." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2009. http://hub.hku.hk/bib/B44205156.

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38

Psaroudakis, G. "Virtual screening in drug design and model evaluation." Thesis, University of Essex, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.422234.

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39

Fincham, Christopher I. "Replacement of peptidic amide bonds in drug design." Thesis, University of Cambridge, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.239080.

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40

Pavurala, Naresh. "Oral Drug Delivery -- Molecular Design and Transport Modeling." Diss., Virginia Tech, 2013. http://hdl.handle.net/10919/53505.

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One of the major challenges faced by the pharmaceutical industry is to accelerate the product innovation process and reduce the time-to-market for new drug developments. This involves billions of dollars of investment due to the large amount of experimentation and validation processes involved. A computational modeling approach, which could explore the design space rapidly, reduce uncertainty and make better, faster and safer decisions, fits into the overall goal and complements the product development process. Our research focuses on the early preclinical stage of the drug development process

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41

Niknezhad, Sepideh. "STRATEGIC DESIGN OF NANOFIBER CARRIERS FOR DRUG RELEASE." University of Akron / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=akron1513257280368733.

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42

Rigden, Daniel. "Phosphofructokinase as a target for rational drug design." Thesis, University of Edinburgh, 1994. http://hdl.handle.net/1842/20753.

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There is a pressing need for new anti-parasitic drugs. Parasitic infection is an enormous, and growing, worldwide problem. Current treatments are generally ineffective and cause side-effects. Organisms resistant to some of the more effective drugs are appearing. A good target for drug intervention is glycolysis on which many parasites rely for their energy supply. Phosphofructokinase (PFK) is a good choice of glycolytic enzyme for targeting since it is belived to catalyse the major regulatory step of glycolysis. However, inhibition of parasite PFK must take place with as little inhibition of t

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Valsborg, Jacob Stenmann. "Design and synthesis of radioligands in drug development /." [Cph.] : Royal danish School of Pharmacy, Department of Medicinal Chemistry, 2002. http://www.dfh.dk/phd/defences/jacobvalsborg.htm.

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Lucato, Arianna <1991&gt. "Computational design of novel protein-drug delivery systems." Master's Degree Thesis, Università Ca' Foscari Venezia, 2019. http://hdl.handle.net/10579/16136.

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Cancer is one of the leading causes of death throughout the world and the number of cases per year is reported to rise to 23.6 million by 2030. Amongst the different types of treatments available, chemotherapy represent the most common one. Despite its proven capability of tumour shrinkage and prevention from coming back after surgery, several factors limit its potential. These include poor bioavailability and biodistribution of the majority of the chemotherapeutic agents commonly used, the high dose required, their numerous adverse side effects, the development of drug resistance and non-spec

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Dale, L. D. "Studies of drug/DNA interactions in vitro." Thesis, Open University, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.234900.

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Murthy, Niren. "The design and synthesis of endosomal disruptive polymers /." Thesis, Connect to this title online; UW restricted, 2001. http://hdl.handle.net/1773/8113.

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47

Dube, Admire. "The design, preparation and evaluation of Artemisia Afra and placebos in tea bag dosage form suitable for use in clinical trials." Thesis, University of the Western Cape, 2006. http://etd.uwc.ac.za/index.php?module=etd&action=viewtitle&id=gen8Srv25Nme4_2915_1188480959.

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<p>Artemisia Afra, a popular South African traditional herbal medicine is commonly administered as a tea infusion of the leaves. However, clinical trials proving it safety and efficacy are lacking mainly due to the absence of good quality dosage forms and credible placebos for the plant. The objectives of this study were to prepare a standardized preparation of the plant leaves and freeze-dried aqueous extract powder of the leaves, in a tea bag dosage form and to design and prepare credible placebos for these plant materials.</p>

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48

Tripathi, Ashutosh. "DEVELOPMENT OF HINT BASED COMPUTATIONAL TOOLS FOR DRUG DESIGN: APPLICATIONS IN THE DESIGN AND DEVELOPMENT OF NOVEL ANTI-CANCER AGENTS." VCU Scholars Compass, 2009. http://scholarscompass.vcu.edu/etd/1866.

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The overall aim of the research is to develop a computational platform based on HINT paradigm for manipulating, predicting and analyzing biomacromolecular-ligand structure. A second synergistic goal is to apply the above methodology to design novel and potent anti-cancer agents. The crucial role of the microtubule in cell division has identified tubulin as an interesting target for the development of therapeutics for cancer. Pyrrole-containing molecules derived from nature have proven to be particularly useful as lead compounds for drug development. We have designed and developed a series o

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Zephyr, Jacqueto. "Robust Drug Design Strategies and Discovery Targeting Viral Proteases." eScholarship@UMMS, 2021. https://escholarship.umassmed.edu/gsbs_diss/1157.

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Viral proteases play crucial roles in the life cycle and maturation of many viruses by processing the viral polyprotein after translation and in some cases cleaving host proteins associated with the immune response. The essential role of viral proteases makes them attractive therapeutic targets. In this thesis, I provide an introductory summary of viral proteases, their structure, mechanism, and inhibition, while the breadth of this thesis focuses on the Hepatitis C virus (HCV) NS3/4A and Zika virus (ZIKV) NS2B/NS3 viral proteases. HCV NS3/4A protease inhibitors (PIs) have become a mainstay in

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Al-Kassas, Raida. "Design of particulate delivery systems." Thesis, Queen's University Belfast, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.239000.

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