Results 61 to 70 of about 7,295,578 (250)

Physiologically-based pharmacokinetic modeling of enantioselective hydroxychloroquine kinetics and impact of genetic polymorphisms [PDF]

Brazilian Journal of Pharmaceutical Sciences
Hydroxychloroquine (HCQ) is a chiral drug used to treat malaria and inflammatory diseases, available as a racemic mixture of R-and S-HCQ. This work aimed to build physiologically-based pharmacokinetic (PBPK) models to predict the pharmacokinetics (PK) of
Gabriella de Souza Gomes Ribeiro, Leandro Francisco Pippa, Fernanda de Lima Moreira, Natália Valadares de Moraes   +3 more
doaj   +1 more source

Epigenetics as a mechanism driving polygenic clinical drug resistance [PDF]

, 2006
Aberrant methylation of CpG islands located at or near gene promoters is associated with inactivation of gene expression during tumour development.
Glasspool, R.M., Teodoridis, JM, Glasspool, RM, Teodoridis, J.M., Brown, R, R M Glasspool, Brown, R., J M Teodoridis, R Brown   +8 more
core   +1 more source

Structural insights and therapeutic targets in Acinetobacter baumannii capsule biosynthesis

FEBS Letters, EarlyView.
Hypervirulent KL49 A. baumannii's capsular polysaccharide contains the nonulosonic acid 8‐epi‐Leg5,7Ac2, synthesized by epimerization via ElaA, ElaB, and ElaC. Crystal structures of ElaA, ElaB, and ElaC reveal their role in CMP‐Leg5,7Ac2 synthesis and regioselective C8 epimerization.
Woo Cheol Lee, Junho Jeong, Chae Yeong Lee, Hyunjoon Cho, Man Hwan Oh, Je Chul Lee, Jee‐Young Lee, Yangmee Kim   +7 more
wiley   +1 more source

HCDT 2.0: A Highly Confident Drug-Target Database for Experimentally Validated Genes, RNAs, and Pathways

Scientific Data
Drug-target interactions constitute the fundamental basis for understanding drug action mechanisms and advancing therapeutic discovery. While existing drug-target databases have contributed valuable resources, they exhibit structural and functional ...
Xinying Liu, Dehua Feng, Jiaqi Chen, Tianyi Li, Xuefeng Wang, Ruijie Zhang, Jian Chen, Xingjun Cai, Huirui Han, Lei Yu, Xia Li, Bing Li, Limei Wang, Jin Li   +13 more
doaj   +1 more source

Novel network pharmacology methods for drug mechanism of action identification, pre-clinical drug screening and drug repositioning [PDF]

, 2011
The high rates of failure in oncology drug clinical trials highlight the problems of using pre-clinical data to predict the clinical effects of drugs. Here we present two methodology innovations on network pharmacology modeling.
Jianghui Xiong
core   +1 more source

Three phosphatase families form a community: The phosphohydrolases that act upon inositol pyrophosphates

FEBS Letters, EarlyView.
Inositol pyrophosphates are energy‐rich signaling molecules that perform critical functions in cells. Three different families of phosphatases hydrolyze the β phosphate of the inositol pyrophosphate molecules: two have narrow specificities and one is promiscuous.
Ronda J. Rolfes
wiley   +1 more source

GraphDTI: A robust deep learning predictor of drug-target interactions from multiple heterogeneous data

Journal of Cheminformatics, 2021
Traditional techniqueset identification, we developed GraphDTI, a robust machine learning framework integrating the molecular-level information on drugs, proteins, and binding sites with the system-level information on gene expression and protein-protein
Guannan Liu, Manali Singha, Limeng Pu, Prasanga Neupane, Joseph Feinstein, Hsiao-Chun Wu, J. Ramanujam, Michal Brylinski   +7 more
doaj   +1 more source

A novel panel of mouse models to evaluate the role of human pregnane X receptor and constitutive androstane receptor in drug response [PDF]

, 2008
The pregnane X receptor (PXR) and the constitutive androstane receptor (CAR) are closely related orphan nuclear hormone receptors that play a critical role as xenobiotic sensors in mammals.
Zevnik, Branko, Rode, Anja, Nicole Faust, Ross, Jillian, C. Roland Wolf, Nico Scheer, Scheer, Nico, Niehaves, Sandra, Sandra Niehaves, Faust, Nicole, Branko Zevnik, Wolf, C. Roland, Jillian Ross, Anja Rode   +13 more
core   +1 more source

Modelling stem cell differentiation related processes—A practical overview for biologists

FEBS Letters, EarlyView.
Stem cell differentiation is complex and difficult to control experimentally. This review introduces suitable computational modelling approaches that can support stem cell research, from mechanistic ODE and abstract models to multiscale and deep learning methods.
Ricco Zeegelaar, Xinqi Yan, Lucas F. Jansen Klomp, Stefano Schivo, Janine N. Post   +4 more
wiley   +1 more source

MiDNE a tool for Multi-omics genes and drugs interactions discovery

Computational and Structural Biotechnology Journal
The availability of models representing molecular interactions in complex pathologies is essential for understanding their molecular setup and identifying therapeutic vulnerabilities.
Aurora Brandi, Barbara Majello, Ines Simeone, Massimiliano Romano, Michele Ceccarelli, Giovanni Scala   +5 more
doaj   +1 more source