Results 41 to 50 of about 400,933 (233)
Prediction of drug–target binding affinity using similarity-based convolutional neural network
Scientific Reports, 2021 Identifying novel drug–target interactions (DTIs) plays an important role in drug discovery. Most of the computational methods developed for predicting DTIs use binary classification, whose goal is to determine whether or not a drug–target (DT) pair ...
Jooyong Shim +3 more
doaj +1 more source
DGDTA: dynamic graph attention network for predicting drug–target binding affinity
BMC Bioinformatics, 2023 Background Obtaining accurate drug–target binding affinity (DTA) information is significant for drug discovery and drug repositioning. Although some methods have been proposed for predicting DTA, the features of proteins and drugs still need to be ...
Haixia Zhai +5 more
doaj +1 more source
Discovering the Biological Target of 5-epi-Sinuleptolide Using a Combination of Proteomic Approaches
Marine Drugs, 2017 Sinuleptolide and its congeners are diterpenes with a norcembranoid skeleton isolated from the soft coral genus Sinularia. These marine metabolites are endowed with relevant biological activities, mainly associated with cancer development.
Elva Morretta +5 more
doaj +1 more source
Journal of Cheminformatics, 2022 Motivation Drug-target binding affinity (DTA) reflects the strength of the drug-target interaction; therefore, predicting the DTA can considerably benefit drug discovery by narrowing the search space and pruning drug-target (DT) pairs with low binding ...
Junjie Wang +4 more
doaj +1 more source
Drug-Target Residence Time Affects in Vivo Target Occupancy through Multiple Pathways
, 2019 The drug discovery and development process is greatly hampered by difficulties in translating in vitro potency to in vivo efficacy. Recent studies suggest that the long-neglected drug-target residence time parameter complements classical drug affinity ...
Bruce D. Hammock (65754) +9 more
core +1 more source
GEFA: early fusion approach in drug-target affinity prediction
, 2022 GEFA: early fusion approach in drug-target affinity ...
Thin Nguyen (13097583) +3 more
core
Journal of Ginseng Research, 2022 Background: Mild cognitive impairment (MCI) is a transitional condition between normality and dementia. Ginseng is known to have effects on attenuating cognitive deficits in neurogenerative diseases.
Zhu Zhu +8 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
Reciprocal control of viral infection and phosphoinositide dynamics
FEBS Letters, EarlyView.Phosphoinositides, although scarce, regulate key cellular processes, including membrane dynamics and signaling. Viruses exploit these lipids to support their entry, replication, assembly, and egress. The central role of phosphoinositides in infection highlights phosphoinositide metabolism as a promising antiviral target.
Marie Déborah Bancilhon, Bruno Mesmin
wiley +1 more source
, 2023 A crucial step in drug discovery is identifying drug-target interactions. Over the years, there have been many computational methods to determine whether a drug and a target will interact or not.
Patel, Yakin
core