Results 71 to 80 of about 8,194,451 (253)

Drug-target-PPI associations for MMI.

, 2022
(A) Relationship between anti-MMI drug candidates and MMI-associated PPIs. Top 10 PPIs with the highest number of shortest links to drug targets are shown (one PPI may correspond to multiple targets). (B) Closest PPIs regulated by azithromycin.
Yao Jiang (1469614), Jia-Xuan Zhang (14279440), Rong Liu (202610)   +2 more
core   +1 more source

DrugLM: A Unified Framework to Enhance Drug–Target Interaction Prediction by Incorporating Textual Embeddings via Language Models

BioMedInformatics
Accurate prediction of drug–target interactions (DTIs) is a cornerstone of computational drug discovery, with the potential to reduce experimental costs and accelerate therapeutic development.
Tianyi Li, Zhengyu Fang, Xiaoge Zhang, Kaiyu Tang, Huiyuan Chen, Zhimeng Jiang, Tianxiang Zhao, Rong Xu, Feixiong Cheng, Xiao Li, Jing Li   +10 more
doaj   +1 more source

Decoding the dynamic extracellular matrix in cancer—3D models and bioscaffolds rewire the rules of tumor progression

FEBS Letters, EarlyView.
Cancer progression is regulated by the dynamic matrix code of the tumor microenvironment, which influences cellular behavior and disease development. Importantly, matrix remodeling in three‐dimensional cancer models more accurately reflects in vivo conditions compared to conventional two‐dimensional systems.
Sylvia Mangani, Konstantinos Spanopoulos, Zoi Piperigkou, Nikos K. Karamanos   +3 more
wiley   +1 more source

Monoamine Oxidase Inhibitors – Indirect Acting Sympathomimetics - contextualized potential drug-drug interaction clinical algorithm

, 2018
An algorithm developed for research purposes that summarizes the potential drug-drug interaction between Monoamine Oxidase Inhibitors – Indirect Acting Sympathomimetics. The information is not advice, and should not be treated as such. The information is
Contributors to the A Minimum Representation of Potential Drug-Drug Interaction Knowledge and Evidence - Technical and User-centered Foundation Specification
core   +1 more source

Identification of a Shiga toxin A‐derived peptide internalized into Gb3 receptor‐bearing cells via interaction with the Shiga toxin B subunit

FEBS Letters, EarlyView.
The process of internalization of the Shiga toxin A subunit via formation of a complex with the Shiga toxin B subunit, which specifically binds to the Gb3 receptor. The peptide is designed to act as a carrier of drugs into cancer cells. Here, we explored the potential of peptides derived from the catalytic A subunit of Shiga toxin (STxA) to be drug ...
Giulia Opassi, João C. Encarnação, Valeria Napolitano, Grzegorz Dubin, Grzegorz Popowicz, Karl Andersson, U. Helena Danielson   +6 more
wiley   +1 more source

Investigating transcription factor dynamics in health and disease using FRAP

FEBS Letters, EarlyView.
FRAP analysis of GFP‐tagged transcription factors reveals how molecular mobility and target engagement change in response to drug treatment. By combining live‐cell imaging, quantitative model fitting, and statistical analysis, this approach uncovers transcription factor dynamics linked to disease mechanisms, providing a powerful framework for ...
Kannan Govindaraj, Carolina Vazquez Garzon, Jose Joaquin Velasco, Janine N. Post   +3 more
wiley   +1 more source

Meta-Path-Based Probabilistic Soft Logic for Drug–Target Interaction Predictions

Mathematics
Drug–target interaction (DTI) predictions, which aim to predict whether a drug will be bounded to a target, have received wide attention recently. The goal is to automate and accelerate the costly process of drug design.
Shengming Zhang, Yizhou Sun
doaj   +1 more source

Conserved binding mode but diverse interfaces of MreC‐PBP2 interactions

FEBS Letters, EarlyView.
The crystal structure of abMreC reveals a conserved two β‐barrel architecture and provides structural insights into its role within the bacterial elongasome. The abMreC–abPBP2 complex model identifies the molecular basis of MreC‐mediated PBP2 recognition, contributing to the regulation of peptidoglycan synthesis.
Hyunseok Jang, Hyo Been Jin, Chang Min Kim, So Yeon Lee, Hyun Ho Park   +4 more
wiley   +1 more source

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

Microbiome‐blood–brain barrier interactions in aging — mechanisms and therapeutic potential

FEBS Letters, EarlyView.
Aging reshapes the gut microbiome (↓SCFA‐producing commensals; ↑pro‐inflammatory outputs), shifting circulating metabolites (↓SCFAs; ↑LPS, ↑TMAO, ↑PAA) that act at the BBB to increase nonspecific transcytosis, alter transport, and promote astrocyte reactivity, heightening brain vulnerability.
Daniel Cuervo‐Zanatta, Hari Baskar Balasubramanian, Amir Pasokh, Marietta Zille   +3 more
wiley   +1 more source