Results 81 to 90 of about 342,422 (269)

DTA+VAE: Drug Target Affinity prediction with SELFIES String via variational autoencoder and Transformer6 protein model

, 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  

ZW4864‐mediated inhibition of the β‐catenin/BCL9/BCL9L complex reveals therapeutic potential in bladder cancer

Molecular Oncology, EarlyView.
BCL9 and BCL9L drive bladder cancer progression by enhancing β‐catenin signaling, promoting proliferation, migration, invasion, and organoid growth. Genetic depletion of BCL9(L) suppresses malignant phenotypes, while pharmacological disruption of the β‐catenin/BCL9(L) complex with ZW4864 inhibits canonical Wnt signaling and tumor‐associated cellular ...
Roland Kotolloshi, Mandy Berndt‐Paetz, Eileen Lerner, Gregoire Najjar, Anca Azoitei, Krishna Pal Singh, Shailendra Kumar Gupta, Olaf Wolkenhauer, Cagatay Günes, Otmar Huber, Marc‐Oliver Grimm, Daniel Steinbach   +11 more
wiley   +1 more source

DTBind: A Mechanism-Driven Deep Learning Framework for Accurate Prediction of Drug–Target Molecular Recognition

Research
Accurate prediction of drug–target molecular recognition is essential for early-stage drug discovery, spanning binding occurrence, binding site localization, and binding affinity estimation.
Qiuyu Li, Zeyu Xu, Yanhao Zhu, Wanyun Zhou, Mingming Guan, Shiqing Zhao, Mengyuan Liu, Bin Liu, Juntao Liu   +8 more
doaj   +1 more source

Identification of functional murine mitochondrial formyl peptides and their effects on myeloid‐derived suppressor cell generation

FEBS Open Bio, EarlyView.
We first identified functional murine mitochondrial N‐formyl peptides (MT‐FPs) and investigated their effects on the in vitro myeloid‐derived suppressor cell (MDSC) generation from bone marrow cells. We demonstrated that MT‐FPs acted directly on bone marrow cells to promote MDSC generation and modulated the polymorphonuclear (PMN)‐MDSC/monocyte (M ...
Miyako Ozawa, Saori Kagoshima, Akira Yamada   +2 more
wiley   +1 more source

Distance plus attention for binding affinity prediction

Protein-ligand binding affinity plays a pivotal role in drug development, particularly in identifying potential ligands for target disease-related proteins.
Newton, MA Hakim, Sattar, Abdul, Ali, Mohammed Eunus, Rahman, Julia   +3 more
core   +1 more source

Drug binding sites on Nat1.8 sodium channels [PDF]

, 2008
The voltage-gated sodium channel, Nav 1.8, is known to play an important role in pain signalling. In this thesis, the functional properties and drug binding sites of wild type and mutant Nav 1.8 sodium channel currents were studied in mammalian sensory ...
Browne, Liam Edward
core  

Development of human monoclonal antibodies against TARM1 by yeast display

FEBS Open Bio, EarlyView.
Human monoclonal antibodies against TARM1 are generated by yeast display‐guided selection. These antibodies bind to soluble and cell‐surface forms of TARM1. Also, these antibodies exhibit agonistic activity in the NFAT‐GFP reporter assay, indicating that TARM1 signaling can be functionally modulated by antibodies and suggesting TARM1 as a potential ...
Rikio Yabe, Mayumi Saeki, Masaaki Hashiguchi, Sayaka Ono, Kazuhisa Aoki, Hidetaka Tanno   +5 more
wiley   +1 more source

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  

AffinityVAE: A multi-objective model for protein-ligand affinity prediction and drug design

, 2023
In the prediction of protein-ligand affinity, the traditional methods require a large amount of computing resources, and have certain limitations in predicting and simulating the structural changes.
Yu, X, Han, K, Wang, M, Li, W, Luo, Y, Wang, C, Jin, Q   +6 more
core   +1 more source

Versatile vector tools for efficient protein screening across multiple expression systems

FEBS Open Bio, EarlyView.
A unified vector toolkit enables rapid protein expression screening across E. coli, insect, and mammalian cells. A single primer pair amplifies the target gene, which is inserted into any vector via a standardized interface. This streamlined workflow eliminates repeated cloning steps, accelerating the identification of optimal expression conditions for
Zhimin Zhu, Yaqing Liu, Lei Qin, Feng Yu, Qisheng Wang, Yahui Liu   +5 more
wiley   +1 more source