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pkCSM: Predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures
(American Chemical Society, 2016)
Small molecules to perform big roles: The search for Parkinson's and Huntington's disease therapeutics
(2023)
Neurological motor disorders (NMDs) such as Parkinson's disease and Huntington's disease are characterized by the accumulation and aggregation of misfolded proteins that trigger cell death of specific neuronal populations ...
Rapid and Simultaneous In Situ Assessment of Aflatoxins and Stilbenes Using Silica Plate Imprinting Mass Spectrometry Imaging
(Public Library ScienceSan FranciscoEUA, 2014)
A novel small-molecule inhibitor of the human papillomavirus E6-p53 interaction that reactivates p53 function and blocks cancer cells growth
(Elsevier Ireland, 2020-02)
Despite prophylactic vaccination campaigns, human papillomavirus (HPV)-induced cancers still represent a major medical issue for global population, thus specific anti-HPV drugs are needed. Since the ability of HPV E6 ...
Revealing Temozolomide Resistance Mechanisms via Genome-Wide CRISPR Libraries
(2020-12-01)
Glioblastoma is a severe type of brain tumor with a poor prognosis and few therapy options. Temozolomide (TMZ) is one of these options, however, with limited success, and failure is mainly due to tumor resistance. In this ...
Small-Molecule Ligands that bind the RET receptor activate neuroprotective signals independent of but modulated by coreceptor GFR α 1
(American Society for Pharmacology and Experimental Therapeutics, 2020-08)
Glial cell line-derived neurotrophic factor (GDNF) binds the GFRα1 receptor, and the GDNF-GFRα1 complex binds to and activates the transmembrane RET tyrosine kinase to signal through intracellular Akt/Erk pathways. To ...
A Minimalist Approach to the Design of Complexity-Enriched Bioactive Small Molecules: Discovery of Phenanthrenoid Mimics as Antiproliferative Agents
(Wiley VCH Verlag, 2018-08)
Over the last decades, much effort has been devoted to the design of the “ideal” library for screening, the most promising strategies being those which draw inspiration from biogenic compounds, as the aim is to add biological ...
Cathepsin L inhibitors with activity against the liver fluke identified from a focus library of quinoxaline 1,4-di-N-Oxide derivatives
(MDPI, 2019)
Infections caused by Fasciola species are widely distributed in cattle and sheep causing significant economic losses, and are emerging as human zoonosis with increasing reports of human cases, especially in children in ...
Investigating molecular dynamics-guided lead optimization of EGFR inhibitors
(Pergamon-Elsevier Science Ltd, 2016-02-15)
The epidermal growth factor receptor (EGFR) is part of an extended family of proteins that together control aspects of cell growth and development, and thus a validated target for drug discovery. We explore in this work ...