Results 51 to 60 of about 333,304 (136)

A review of deep learning methods for ligand based drug virtual screening

Fundamental Research
Drug discovery is costly and time consuming, and modern drug discovery endeavors are progressively reliant on computational methodologies, aiming to mitigate temporal and financial expenditures associated with the process.
Hongjie Wu, Junkai Liu, Runhua Zhang, Yaoyao Lu, Guozeng Cui, Zhiming Cui, Yijie Ding   +6 more
doaj   +1 more source

Dipeptide Frequency of Word Frequency and Graph Convolutional Networks for DTA Prediction

Frontiers in Bioengineering and Biotechnology, 2020
Deep learning is an effective method to capture drug-target binding affinity, but low accuracy is still an obstacle to be overcome. Thus, we propose a novel predictor for drug-target binding affinity based on dipeptide frequency of word frequency ...
Xianfang Wang, Xianfang Wang, Yifeng Liu, Fan Lu, Hongfei Li, Peng Gao, Dongqing Wei   +6 more
doaj   +1 more source

Bispecific antibodies: A guide to model informed drug discovery and development

Heliyon, 2021
Affinity (KD) optimization of monoclonal antibodies is one of the factors that impacts the stoichiometric binding and the corresponding efficacy of a drug.
Irina Kareva, Anup Zutshi, Pawan Gupta, Senthil Kabilan   +3 more
doaj   +1 more source

GraphATT-DTA: Attention-Based Novel Representation of Interaction to Predict Drug-Target Binding Affinity

Biomedicines, 2022
Drug-target binding affinity (DTA) prediction is an essential step in drug discovery. Drug-target protein binding occurs at specific regions between the protein and drug, rather than the entire protein and drug.
Haelee Bae, Hojung Nam
doaj   +1 more source

Target‐Mediated Drug Disposition (TMDD) Revisited: High Versus Low‐Affinity Approximations of the TMDD Model

CPT: Pharmacometrics & Systems Pharmacology
Target‐mediated drug disposition (TMDD) is often associated with high‐affinity binding to a target resulting in nonlinear pharmacokinetics. For large molecules, such as monoclonal antibodies, this can lead to increased clearance at sub‐saturating ...
Ronny Straube
doaj   +1 more source

DTA Atlas: A massive-scale drug repurposing database

Artificial Intelligence in the Life Sciences
The drug development process is costly and time-consuming. Repurposing existing approved drugs, an efficient and cost-effective strategy, involves assessing numerous drug-protein pairs to uncover new interactions.
Madina Sultanova, Elizaveta Vinogradova, Alisher Amantay, Ferdinand Molnár, Siamac Fazli   +4 more
doaj   +1 more source

Drug–Target Affinity Prediction Based on Cross-Modal Fusion of Text and Graph

Applied Sciences
Drug–target affinity (DTA) prediction is a critical step in virtual screening and significantly accelerates drug development. However, existing deep learning-based methods relying on single-modal representations (e.g., text or graphs) struggle to fully ...
Jucheng Yang, Fushun Ren
doaj   +1 more source

MFAE: Multilevel Feature Aggregation Enhanced Drug‐Target Affinity Prediction for Drug Repurposing Against Colorectal Cancer

Advanced Intelligent Systems
Colorectal cancer (CRC), a leading cause of cancer‐related deaths globally, demands innovative therapeutic strategies to improve patient outcomes. Drug repurposing, identifying new uses for existing drugs, provides a cost‐effective solution. To this end,
Guanxing Chen, Haohuai He, Calvin Yu-Chian Chen   +2 more
doaj   +1 more source

Studies and analysis of drug-target interactions by affinity chromatography and related techniques: A review

Journal of Pharmaceutical Analysis
The characterization of drug-target interactions is a key component of drug discovery, testing, and development. Affinity chromatography is one approach that can be used for this type of analysis.
David S. Hage, Sadia Sharmeen, B.K. Sajeeb, Harshana Olupathage, Md Masudur Rahman, Isaac Kyei, Samiul Alim, Nigar Sultana Pinky   +7 more
doaj   +1 more source

AFIR: A Dimensionless Potency Metric for Characterizing the Activity of Monoclonal Antibodies

CPT: Pharmacometrics & Systems Pharmacology, 2017
For monoclonal antibody (mAb) drugs, soluble targets may accumulate several thousand fold after binding to the drug. Time course data of mAb and total target is often collected and, although free target is more closely related to clinical effect, it is ...
AM Stein, R Ramakrishna
doaj   +1 more source