Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
Results
Showing 1 to 20 of 21 for “"ADMET"”.
-
Técnicas de aprendizaje automático y computación científica aplicadas a la predicción de parámetros ADMET-Tox
Hace 15 a~nos atras, el desarrollo de nuevos productos farmaceuticos consista en un proceso de prueba y error basado mayormente en la busqueda de un farmacoforo o principio activo. Sin embargo, muchos compuestos eran nalmente descartados en la ultima etapa del proceso de su desarrollo debido al …
-
Synthesis, antimalarial evaluation, Ç-hematin inhibition, and in silico and in vitro ADMET profiling of 4-aminoquinoline-hydroxypyridinone hybrids
With the aim of designing appropriate hybrid molecules as a strategy to fight drug resistant malaria parasites, 4-aminoquinoline-3,4-hydroxypyridinone hybrids were designed and synthesized. Their hypothesized mode of action was studied with respect to inhibition of hemozoin formation.
-
Combining the Power of Attention Models and Many-objective Computational Intelligence Algorithms for Drug Design
… metabolism, excretion, and toxicity (ADMET) pharmacokinetic properties of drug candidates in a later stage of drug design processes, where failure is most costly. To address this challenge, this research work aims to achieve three objectives. First, it explores the use of …
-
Integration of In Silico and In Vitro ADMET properties in lead identification and optimization of compounds for the treatment of parasitic diseases
… Metabolism, Excretion and Toxicity (ADMET). However, scientific and technological expertise in pharmacokinetics for drug discovery is under developed in Africa.
-
Novel Poly(N-substituted glycine)s : synthesis, post-modification, and physical properties
… thiol-ene and acyclic diene metathesis (ADMET) polymerizations. Thiol-ene polymerization readily led to low molecular weight polymers (<2.5 kDa), that were insoluble in most solvents except heated amide solvents (ie. DMF), whereas ADMET polymerization, with diallyl DKP, was unsuccessful …
-
Synthesis and Characterisation of Tertiary Diallylalkylammonium Ionic Liquids and Their Metathesis
… 4.9 and 5.2 V. ii Acyclic diene metathesis (ADMET) polymerisation produced cyclic products rather than the desired polymeric materials. Diallylhexylammonium [BF4]¯ and [PF6]¯ gave 100% conversion to cyclic products, whilst the conversion decreased to 46 and 25% for the diallyhexylammonium …
-
Dengue virus and West Nile virus protease inhibitors
… to generate lead compounds that display superior ADMET and PK characteristics.
-
Avaliação das propriedades antioxidante, citotóxica e antimicrobiana in vitro promovidas por compostos tiossemicarbazônicos
… (CG-1 a CG-7), e avaliar suas propriedades ADMET in sílico e in vitro, atividade antioxidante, citotóxica, antifúngica e interação com Albumina Sérica Bovina (BSA). Os compostos foram obtidos pela reação indireta com derivados tiossemicarbazidas, por adição nucleofílica entre hidrazina e …
-
Avaliação da atividade biológica de produtos naturais e sintéticos visando o tratamento de feridas ocasionadas por leishmaniose tegumentar: estudo in vitro e in silico
… dos compostos dentro das regras de lipinski e ADMET. Os resultados obtidos apontaram três alcalóides e dois derivados de dibenzoilmetanos como potenciais agentes leishmanicida, cicatrizantes e anti- inflamatório. Palavras-chave: Cicatrização. Leishmaniose tegumentar. Produtos naturais.
-
Materials with supramolecular chirality : liqid crystals and polymers for catalysis
… Upon in situ acyclic diene metathesis (ADMET) polymerization, the original mesophase order is retained. Chapter Two involves the room temperature polymerization of iron(III) tris(diketonate) liquid crystals, resulting in densely crosslinked materials. The focus of Chapter Three is the …
-
INTEGRATION OF QUANTUM-MECHANICAL AND MOLECULAR DOCKING APPROACHES IN GLOBAL METHODS FOR METABOLISM PREDICTION OF XENOBIOTICS
… modeling. The former can be used to optimize the ADMET profile of a potential candidate, thereby eliminating undesirable compounds. The latter strategy can be used to identify new hits and for hit-to-lead optimization in the early stages of the drug discovery process. Overall, these two strategies …
-
Planejamento in silico, síntese, caracterização e avaliação in vitro de novos análogos da 4-amino-5-ciano-pirimidinas de interesse farmacológico
… a Regra dos Cinco de Lipinski e seus parâmetros ADMET indicaram boa absorção e solubilidade aquosa variando de boa a moderada, além de não demonstrarem mutagênese, tumorigênese, ou cause problemas de reprodutibilidade e irritação. Todos os derivados inibiram a cepa Talahuen de T. cruzi, e os …
-
In silico-guided design, synthesis and antimicrobial activity of piperazine-linked 8-hydroxyquinoline-isatin hybrids
… metabolism, excretion, and toxicity (ADMET) prediction platforms, SwissADME and pkCSM, to guide the selection of constructs with favourable pharmacokinetics and druglike properties. According to the docking studies, compounds 14a-c and 15a-c showed significant binding energy with …
-
Identification non linéaire du modèle de frottement GMS pour l'amélioration de la commande des systèmes mécaniques
… de frottement GMS proposée dans cette thèse admet de très bonnes performances. À la fin, des recommandations sont formulées relativement à i) une étude approfondie de la fonction de commutation qui assure la transition entre les deux régimes de frottement pour un modèle à plusieurs étages et …
-
Characterisation of novel compounds as antagonists of protease-activated receptor-2 (PAR2)
… to be a truly breakthrough compound. If the ADMET properties of AZ8838 are good this compound could be used in clincal studies for the treatment of inflammatroy disorders.
-
La nature, l'homme et l'art dans les oeuvres de Gilles Vigneault
… personnelle. Tout à fait par hasard, puisqu'il admet lui-même avoir une voix désagréable. Vigneault découvrit la musique comme moyen de communiquer avec son public. Dès lors naquit sa carrière de chansonnier qui le rendit célèbre. En 1960 il chanta pour la première fois sur scène. Un ami, le …
-
Desarrollo de métodos analíticos y de predicción para informática molecular basados en técnicas de aprendizaje automático y visualización
… están relacionadas con el comportamiento ADMET (absorción, distribución, metabolismo, excreción y toxicidad) de los mismos: absorción intestinal humana (Human Intestinal Absorption, HIA) y el pasaje de la barrera hemato-encefálica (Blood-Brain Barrier, BBB), ambas esenciales para el …
-
Individual and Combined Effects of Selected Emerging Safeners: Mefenpyr di-ethyl and Cyprosulfamide and their Co-Herbicides, Fenoxaprop-P-ethyl and Isoxaflutole on Daphnia magna and Danio rerio
… as moderate to high-risk level according to ADMET software. On the contrary, CPS had low to moderate risk levels for both D. magna and D. rerio. A biphasic plot indicating a hormetic reaction was obtained for reproduction in D. magna, suggesting that MEF might be an endocrine-disrupting …
-
Caratterizzazione del legame di molecole di interesse farmaceutico alla sieroalbumina umana mediante biocromatografia e dicroismo circolare
… che permettessero di caratterizzare le proprietà ADMET dei farmaci in via di sviluppo, il più rapidamente possibile. Questa tendenza origina dalla consapevolezza che circa la metà dei farmaci in via di sviluppo non viene commercializzato perché ha carenze nelle caratteristiche ADME, e che almeno …
-
Synthesis and applications of materials and polymers containing graphenic and/or triptycene moities
… were synthesized via acyclic diene metathesis (ADMET) polymerization. Two types of triptycene-based monomer with varying connectivities were used in the synthesis of homopolymers, block copolymers, and random copolymers. In this way, the influence of the triptycene architecture and concentration …
Page 1 of 2