Results 211 to 220 of about 28,587,314 (277)

An extension of jamdock-suite for virtual screening from raw chemical datasets. [PDF]

STAR Protoc
Emon S, Haque MM, Alam I, Haque MA, Alam JM.   +4 more
europepmc   +1 more source

Cancer pain: current practice and emerging targets

British Journal of Pharmacology, EarlyView.
Cancer pain (CP) arises from a complex interplay between the tumour and its microenvironment. Many patients experience a mixed pain phenotype that encompasses nociceptive, neuropathic and neuroinflammatory mechanisms, and vary across tumour type and disease stage. Despite decades of intensive research, the mainstay of cancer pain treatment is still non‐
Yi Ye, Marcin Chwistek, Zhiting Gong, Vanessa Uzonwanne, Xiaojie Shi, Arpad Szallasi   +5 more
wiley   +1 more source

Virtual cell construction for artificial intelligence‐driven drug discovery

British Journal of Pharmacology, EarlyView.
Cells are the fundamental units through which genetic variation and pharmacological perturbations influence disease processes and therapeutic responses. However, cellular responses to intervention are strongly shaped by biological context, creating a central challenge for drug discovery: predicting how specific perturbations reshape cellular systems ...
Yuran Jia, Xiao Xing, Haoyang Han, Yuansong Zhao, Shiyao Zhou, Jingjing Chen   +5 more
wiley   +1 more source

Systematic profiling reveals broad G protein coupling and context‐dependent modulation of cyclic AMP by the orphan receptor GPR139

British Journal of Pharmacology, EarlyView.
Background and Purpose G protein‐coupled receptors (GPCRs) are major drug targets, yet many orphan receptors remain poorly characterized. GPR139 has been implicated in CNS disorders, including schizophrenia and depression, but its signalling mechanisms remain unclear.
Boris Trapkov, Hans Bräuner, Alexander Sebastian Hauser   +2 more
wiley   +1 more source

Computer-Aided Drug Design for Type 2 Diabetes-Related Enzymes: SILCS-Based Fragment Mapping, Pharmacophore Modeling, and Virtual Screening. [PDF]

J Chem Inf Model
Mohammadi E, Lemkul JA.
europepmc   +1 more source

Natural product‐derived TRPM7 channel inhibitors in neurological injury: Mechanisms, pharmacological potential and translational challenges

British Journal of Pharmacology, EarlyView.
Disruption of intracellular ionic homeostasis is a convergent pathological feature across diverse neurological injuries and disorders, including ischaemic and haemorrhagic stroke, hypoxic–ischaemic brain injury, traumatic brain injury, epilepsy and brain tumour.
Xinyang Zhang, Hio Lam Ho, F. David Horgen, Andrea Fleig, Zhong‐Ping Feng, Hong‐Shuo Sun   +5 more
wiley   +1 more source

Research on the Intervention of Bile Stasis-Induced Pruritus Using Small Molecules Targeting MRGPRX4 Through High-Throughput Screening. [PDF]

Molecules
Liang Q, Kuang J, Wang L, Gou H, Tang D, Peng W, Wu C.   +6 more
europepmc   +1 more source

Plasma EC90 multiples are drug, target site and species specific—A physiologically based pharmacokinetic modelling example of nirmatrelvir central nervous system distribution

British Journal of Pharmacology, EarlyView.
Abstract Background and Purpose Achieving minimum unbound drug concentration in plasma above in vitro EC90 is a common antiviral pharmacokinetic/pharmacodynamic (PK/PD) target. However, it often overlooks restricted distribution into target sites like the central nervous system (CNS), where a trough concentration above 1 × EC90 is needed.
Daan W. van Valkengoed, Xuanlin Liu, Sean N. Avedissian, Courtney V. Fletcher, Ashley N. Brown, Elizabeth C. M. de Lange, Anne‐Grete Märtson   +6 more
wiley   +1 more source

Artificial intelligence and ultra-high performance computing methods and experiments for drug discovery: virtual screening, deep learning, molecular dynamics simulations, ADMET modelling, and experimental validation. [PDF]

Mol Biomed
Li L, Soriano LD, Kedir WM, Hoch FL, Loke DK.   +4 more
europepmc   +1 more source

LAMC2+ Epithelial Cells Drive Bladder Cancer Progression and Predict Immunotherapy Response via SERPINB3/STAT3/CD44 Axis

Cancer Science, EarlyView.
This study identified LAMC2+ epithelial cells through single‐cell sequencing and found that high expression of LAMC2 is associated with the malignant progression of bladder cancer. HdWGCNA and transcriptome sequencing revealed the SerpinB3/STAT3/CD44 axis. Diosmetin was selected as a potential LAMC2 inhibitor.
Yutong Chen, Yunzhong Jiang, Zezhong Yang, Minxuan Jing, Wentai Wu, Jiale He, Lu Wang, Minghai Ma, Yaodong Zhang, Min Wang, Jianpeng Li, Yuanchun Pu, Bingliang He, Yanjia Liu, Kaibo Mi, Hang Liu, Mengzhao Zhang, Jinhai Fan   +17 more
wiley   +1 more source