Results 81 to 90 of about 5,508,972 (143)

Fluorous Drug-Affinity Proteomics for Cancer Drug Discovery [PDF]

, 2015
Identifying the intracellular targets of small molecules – target ID – is a major problem in chemical biology with broad application to the discovery and development of novel therapies.
Herzberg, Benjamin
core   +4 more sources

Drug target binding affinity prediction considering the interaction of molecule atom and protein subsequences

, 2021
The identification of drug target interactions is an important task in drug discovery. To model the interaction of drug and protein, most of the computational methods of drug target affinity prediction have been proposed the global interaction between ...
Haelee Bae
core   +1 more source

Comparison Study of Computational Prediction Tools for Drug-Target Binding Affinities

Frontiers in Chemistry, 2019
The drug development is generally arduous, costly, and success rates are low. Thus, the identification of drug-target interactions (DTIs) has become a crucial step in early stages of drug discovery.
Maha Thafar, Maha Thafar, Arwa Bin Raies, Somayah Albaradei, Somayah Albaradei, Magbubah Essack, Vladimir B. Bajic   +6 more
doaj   +1 more source

Discovery of Novel Active Diamidines as Clinical Candidates Against "Trypanosoma Evansi" Infection [PDF]

, 2007
The animal pathogenic protozoan, Trypanosoma evansi, leads to a wasting disease in equines, cattle and camels, commonly known as Surra. It is extensively distributed geographically with a wide range of mammalian hosts and causes great economical loss ...
Gillingwater, Kirsten
core   +1 more source

The Trypanosoma brucei sphingolipid synthase, an essential enzyme and a drug target [PDF]

, 2009
Sphingolipids are important structural components of eukaryotic membranes, in addition they and their precursors are involved in signal transduction processes.
Pan, Ssu-Ying
core  

Drug target identification in protozoan parasites.

, 2016
INTRODUCTION Despite the fact that diseases caused by protozoan parasites represent serious challenges for public health, animal production and welfare, only a limited panel of drugs has been marketed for clinical applications.
Joachim Müller, Andrew Hemphill, Müller, Joachim, Hemphill, Andrew   +3 more
core   +1 more source

Epidermal growth factor receptor: Target for delivery and silencing [PDF]

, 2008
Epidermal growth factor receptor in cancer therapy Recently, cancer research has been able to identify molecular targets that are specific for (or highly expressed by) cancer cells.
Santos Oliveira, S., Dep Farmaceutische wetenschappen, Advanced drug delivery systems/drug targeting   +2 more
core   +1 more source

MTAF–DTA: multi-type attention fusion network for drug–target affinity prediction

BMC Bioinformatics
Background The development of drug–target binding affinity (DTA) prediction tasks significantly drives the drug discovery process forward. Leveraging the rapid advancement of artificial intelligence, DTA prediction tasks have undergone a transformative ...
Jinghong Sun, Han Wang, Jia Mi, Jing Wan, Jingyang Gao   +4 more
doaj   +1 more source

Structure-free drug–target affinity prediction using protein and molecule language models

Journal of Cheminformatics
Accurate prediction of drug-target affinity (DTA) is crucial for advancing drug discovery and optimizing experimental processes. Traditional DTA models often rely on handcrafted features or structural data, which can limit their generalizability and ...
Amir Hallaji Bidgoli, Morteza Mahdavi, Hamed Malek   +2 more
doaj   +1 more source

Stereochemistry-Aware Drug-Target Affinity Prediction

bioRxiv
Drug–target affinity (DTA) prediction is a key task in drug discovery, enabling the estimation of the interaction strength between candidate compounds and biological targets.
Santiago Ferreyra, Iago Dutra, Aldo Galeano, Alberto Paccanaro   +3 more
semanticscholar   +1 more source