Results 101 to 110 of about 888,632 (296)

Quantitative estimate of protein-protein interaction targeting drug-likeness

, 2021
The quantification of drug-likeness is very useful for screening drug candidates. The quantitative estimate of drug-likeness (QED) is the most commonly used quantitative drug efficacy assessment method proposed by Bickerton et al.
Takatsugu, Kosugi, Masahito, Ohue
core   +1 more source

Predicting drug and target interaction with dilated reparameterize convolution

Scientific Reports
Predicting drug-target interaction (DTI) stands as a pivotal and formidable challenge in pharmaceutical research. Many existing deep learning methods only learn the high-dimensional representation of ligands and targets on a small scale.
Moping Deng, Jian Wang, Yiming Zhao, Yongjia Zhao, Hao Cao, Zhuo Wang   +5 more
doaj   +1 more source

Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space

Scientific Reports, 2017
Many computational methods to predict the macromolecular targets of small organic molecules have been presented to date. Despite progress, target prediction methods still have important limitations.
Antonio Peón, Stefan Naulaerts, Pedro J. Ballester   +2 more
doaj   +1 more source

Microbiome−host proteostasis crosstalk—An emerging perspective on mechanisms and interventions toward healthy longevity

FEBS Letters, EarlyView.
Proteostasis and the gut microbiota play a key role in shaping host physiology. Microbiota‐derived metabolites, vitamins, and RNA modulate host proteostasis. Findings from model systems, including C. elegans, indicate microbes can either stabilize or disrupt host proteostasis.
Abhishek Anil Dubey, Maria Ermolaeva
wiley   +1 more source

Citalopram: suspected drug interaction with cocaine; prescribers should consider enquiring about illicit drug use.

, 2016
The UK Medicines and Healthcare products Regulatory Agency received a Coroner’s report that raised concerns about a suspected drug interaction between citalopram and cocaine after the death of a man due to subarachnoid haemorrhage.

core  

Leveraging Image-Derived Phenotypic Measurements for Drug-Target Interaction Predictions

Cancer Informatics, 2019
In recent years, protein kinases have become some of the most significant drug targets in cancer patients. Kinases are known to regulate the activity of many human proteins, and consequently their inhibition has been used to control cancer proliferation.
Srikanth Kuthuru, Adam T Szafran, Fabio Stossi, Michael A Mancini, Arvind Rao   +4 more
doaj   +1 more source

Phosphoinositides and inositol phosphates as molecular glues

FEBS Letters, EarlyView.
Inositol phosphates (IPs) and phosphoinositides (PIPs) regulate diverse eukaryotic processes. Beyond recruiting signaling proteins or acting as structural cofactors, recent studies suggest they mediate protein–protein interactions as natural molecular glues.
Aleshia Seaton‐Terry, Alexander J. Cutright, Mong Na Claire Loi, Jessica Martin, Joseph W. Gilligan, Jakub N. Kubina, Michael J. Arambula, Susanna Tanada Palmu, Daniella Zhou, Raymond D. Blind   +9 more
wiley   +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

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

Design and analysis strategies for robust microbiome ageing research

FEBS Letters, EarlyView.
The gut microbiome changes with age and associates with age‐related morbidity and mortality, establishing it as a potential biomarker and intervention target for ageing. Realising this potential requires methodological rigour, yet distinguishing biological signals from methodological artefacts remains challenging across cohorts. This review provides an
Mark Olenik, İsmail Güderer, Yi Wang, Tayyaba Alvi, Prasoon Pandey, Handan Melike Dönertaş   +5 more
wiley   +1 more source