Results 21 to 30 of about 803,380 (297)
Rational Design, Synthesis and Biological Evaluation of Pyrimidine-4,6-diamine derivatives as Type-II inhibitors of FLT3 Selective Against c-KIT. [PDF]
, 2018 FMS-like Tyrosine Kinase 3 (FLT3) is a clinically validated target for acute myeloid leukemia (AML). Inhibitors targeting FLT3 have been evaluated in clinical studies and have exhibited potential to treat FLT3-driven AML.
Bharate, Jaideep B +8 more
core +2 more sources
Molecules, 2022 Gold catalysts possess the advantages of water and oxygen resistance, with the possibility of catalyzing many novel chemical transformations, especially in the syntheses of small-molecule skeletons, in addition to achieving the rapid construction of ...
Lu Yang +5 more
doaj +1 more source
Structure based de novo design of IspD inhibitors as anti-tubercular agents [PDF]
, 2012 Tuberculosis is one of the leading contagious diseases, caused by Mycobacterium tuberculosis. Despite improvements in anti-tubercular agents, it remains one of the most prevalent infectious diseases worldwide, responsible for a total of 1.6 million ...
Abhay T. Sangamwar +4 more
core +2 more sources
Synthesis and Smo Activity of Some Novel Benzamide Derivatives
Molecules, 2017 Two series of benzamides compounds bearing piperidine groups were synthesized and the Gli-luc luciferase activity was screened by Gys-luc luciferase gene detection method. Compound 5q showed promising inhibition of hedgehog (Hh) signaling pathway.
Huaiwei Ding +8 more
doaj +1 more source
Rational design of phenothiazinium derivatives and photoantimicrobial drug discovery [PDF]
, 2017 While the model for conventional antimicrobial drug discovery is based securely on singular modes and sites of action, those associated with phenothiazinium photoantimicrobial candidates are both multifactorial and variable, resulting from oxidation ...
McLean, A, Wainwright, M
core +3 more sources
Self-immolative linkers in polymeric delivery systems [PDF]
, 2011 There has been significant interest in the methodologies of controlled release for a diverse range of applications spanning drug delivery, biological and chemical sensors, and diagnostics.
Blencowe, Christopher A +4 more
core +1 more source
Deep generative molecular design reshapes drug discovery
Cell Reports Medicine, 2022 Recent advances and accomplishments of artificial intelligence (AI) and deep generative models have established their usefulness in medicinal applications, especially in drug discovery and development. To correctly apply AI, the developer and user face questions such as which protocols to consider, which factors to scrutinize, and how the deep ...
Xiangxiang Zeng +9 more
openaire +4 more sources
Molecules, 2019 Based on the analysis of epidermal growth factor receptor (EGFR) complexes with gefitinib with molecular docking, the scaffold-hopping strategy, combination of the active substructures, and structural optimization of EGFR inhibitors, a novel series of ...
Xinshan Deng +7 more
doaj +1 more source
Structural Prediction of Protein–Protein Interactions by Docking: Application to Biomedical Problems [PDF]
, 2018 A huge amount of genetic information is available thanks to the recent advances in sequencing technologies and the larger computational capabilities, but the interpretation of such genetic data at phenotypic level remains elusive.
Barradas-Bautista, Didier +3 more
core +2 more sources
Reducing the Concepts of Data Science and Machine Learning to Tools for the Bench Chemist
CHIMIA, 2019 Machine Learning and Data Science have enjoyed a renaissance due to the availability of increased computational power and larger data sets. Many questions can be now asked and answered, that previously were beyond our scope.
Richard A. Lewis +3 more
doaj +1 more source