Results 61 to 70 of about 600,341 (272)

WideDTA: prediction of drug-target binding affinity

, 2019
Motivation: Prediction of the interaction affinity between proteins and compounds is a major challenge in the drug discovery process. WideDTA is a deep-learning based prediction model that employs chemical and biological textual sequence information to predict binding affinity.
Öztürk, Hakime, Ozkirimli, Elif, Özgür, Arzucan   +2 more
openaire   +2 more sources

Small molecule and peptide inhibitors of the pro-survival protein Mcl-1 [PDF]

, 2016
The ability of protein–protein interactions to regulate cellular processes in both beneficial and detrimental ways has made them obvious drug targets.
Beekman, Andrew, Howell, Lesley
core   +1 more source

Characterization of HSP90 isoforms in transformed bovine leukocytes infected with Theileria annulata [PDF]

, 2016
HSP90 chaperones are essential regulators of cellular function, as they ensure the appropriate conformation of multiple key client proteins. Four HSP90 isoforms were identified in the protozoan parasite Theileria annulata.
Calder, Ewen D.D., Devaney, Eileen, Gillan, Victoria, Hostettler, Isabel, Kinnaird, Jane H., Shiels, Brian R., Singh, Meetali, Tatu, Utpal, Weir, William   +8 more
core   +2 more sources

Target engagement of ginsenosides in mild cognitive impairment using mass spectrometry-based drug affinity responsive target stability

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, Ruimei Li, Wei Qin, Hantao Zhang, Yao Cheng, Feiyan Chen, Cuihua Chen, Lin Chen, Yunan Zhao   +8 more
doaj   +1 more source

Predicting drug–target binding affinity with cross-scale graph contrastive learning

Briefings in Bioinformatics, 2023
Abstract Identifying the binding affinity between a drug and its target is essential in drug discovery and repurposing. Numerous computational approaches have been proposed for understanding these interactions. However, most existing methods only utilize either the molecular structure information of drugs and targets or the interaction ...
Wang, Jingru, Xiao, Yihang, Shang, Xuequn, Peng, Jiajie   +3 more
openaire   +2 more sources

Drug-Online: an online platform for drug-target interaction, affinity, and binding sites identification using deep learning

BMC Bioinformatics
Background Accurately identifying drug-target interaction (DTI), affinity (DTA), and binding sites (DTS) is crucial for drug screening, repositioning, and design, as well as for understanding the functions of target.
Xin Zeng, Guang-Peng Su, Shu-Juan Li, Shuang-Qing Lv, Meng-Liang Wen, Yi Li   +5 more
doaj   +1 more source

Community sewage sensors towards evaluation of drug use trends: detection of cocaine in wastewater with DNA-directed immobilization aptamer sensors [PDF]

, 2016
Illicit drug use has a global concern and effective monitoring and interventions are highly required to combat drug abuse. Wastewater-based epidemiology (WBE) is an innovative and cost-effective approach to evaluate community-wide drug use trends ...
Castrignanò, Erika, Estrela, Pedro, Frost, Christopher G., Kasprzyk-Hordern, Barbara, Yang, Zhugen   +4 more
core   +3 more sources

Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions

FEBS Letters, EarlyView.
We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva, Puspa Kunwar, Md Ibnul Rifat Rahman, Joanna Koryo Kwao, Nathan Lehman, Zihan Zhang, Trenton Paul, Claire Cheng, Nicholas Truex, Hui‐Ting Lee, Jun Zhang   +10 more
wiley   +1 more source

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

Surface Mutation Thr34His Facilitates Purification of Haemophilus influenza Carbonic Anhydrase via Metal Affinity Chromatography [PDF]

, 2017
In order to pursue Haemophilus influenza carbonic anhydrase (HICA) as a potential drug target, easy and efficient purification methods must be developed. While immobilized metal affinity chromatography (IMAC) may be used, complications with polyhistidine
Cornely, Dr. Kathleen, Foley, Caroline
core   +1 more source