Drug Discovery and Drug Delivery Systems

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Articles about Drug Discovery and Drug Delivery Systems

Identification of PLK1 as the Target of Tubocapsenolide A for the Activation of Colorectal Cancer Ferroptosis by PROTAC Technology

3 days ago by Yueying Yang and others at

Fujian University of Traditional Chinese Medicine

Biological and Medicinal Chemistry, Chemical Biology

MAYA (Multiple ActivitY Analyzer): An Open Access Tool to Explore Structure Multiple Activity Relationships in the Chemical Universe

3 days ago by J. Israel Espinoza-Castañeda and José Medina-Franco

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

aweSOM: a GNN-based Site-of-Metabolism Predictor with Aleatoric and Epistemic Uncertainty Estimation

3 days ago by Roxane Axel Jacob and others at

University of Vienna

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Rational discovery of molecular glues for the glucocorticoid receptor – 14-3-3 protein-protein interaction starting with application of traditional hit-finding methods

4 days ago by Matthew Perry and others

Biological and Medicinal Chemistry, Drug Discovery and Drug Delivery Systems

Rational design of small-molecule peptidomimetics for three pivotal protein secondary structures

4 days ago by Jeong Yeon Yoo and others at

Seoul National University

Biological and Medicinal Chemistry, Organic Chemistry

Structural and mechanistic insights into Main protease (Mpro) dimer interface destabilization inhibitor: Unveiling new therapeutic avenues against SARS-CoV-2

4 days ago by Ankur Singh and others

Biological and Medicinal Chemistry, Biochemistry

Detection of Putative Ligand Dissociation Pathways in Proteins using Site-Identification by Ligand Competitive Saturation

4 days ago by Wenbo Yu and others

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Paclitaxel Biosynthesis AI Breakthrough

7 days ago by Kevin Kawchak

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Active Learning Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand Binding Affinities

7 days ago by Filipp Gusev and others at

Carnegie Mellon University

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

An Improved P(V) Oligonucleotide Synthesis Platform

7 days ago by Molhm Nassir and others at

Scripps Research Institute

Biological and Medicinal Chemistry, Organic Chemistry

Development of an orally bioavailable covalent STING inhibitor

3 October 2024 by Guang-Hao Niu and others

Biological and Medicinal Chemistry, Chemical Biology

Bioorthogonal Regulation of Self-Immolation and Controlled Release Using Cucurbit[7]uril Supramolecular Chemistry

3 October 2024 by Xuancheng Fu and others at

Syracuse University

Biological and Medicinal Chemistry, Organic Chemistry

Bayesian Illumination: Inference and Quality-Diversity Accelerate Generative Molecular Models

3 October 2024 by Jonas Verhellen at

University of Oslo

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

The helix-turn-helix motif in Pseudomonas aeruginosa ExsA monomer can recognize DNA and stabilize the putative ligand-binding domain

3 October 2024 by Jack Greenhalgh and others

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

FMOPhore for hotspot identification and efficient fragment-to-lead growth strategies

1 October 2024 by Peter E.g.f. Ibrahim and others

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Accelerating Fragment Based Drug Discovery using Grand Canonical Nonequilibrium Candidate Monte Carlo

30 September 2024 by William Poole and others at

University of Southampton

Theoretical and Computational Chemistry, Physical Chemistry

Machine Learning Applications in Drug Discovery

26 September 2024 by Sadettin Ugurlu

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

A Critical Factor in Reactive Oxygen Species (ROS) Studies: The Need to Understand the Chemistry of the Solvent Used

25 September 2024 by Shubham Bansal and Binghe Wang at

Georgia State University

Biological and Medicinal Chemistry, Organic Chemistry

The Fourth CACHE Challenge – A Comprehensive Drug Discovery Workflow to Discover Potential Inhibitors of the Tyrosine Kinase Binding Domain of Cbl-b

25 September 2024 by Mihai Burai-Patrascu and others

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Martini 3 building blocks for Lipid Nanoparticle design

24 September 2024 by Lisbeth Ravnkilde Kjølbye and others

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Dipeptidic Phosphonates: Potent Inhibitors of Pseudomonas aeruginosa Elastase B Showing Efficacy in a Murine Keratitis Model

24 September 2024 by Alexander Felix Kiefer and others at

Helmholtz Centre for Infection Research

Biological and Medicinal Chemistry, Drug Discovery and Drug Delivery Systems

New generation modified azole antifungals against multidrug-resistant Candida auris

23 September 2024 by Yiyuan Chen and others at

King's College London

Biological and Medicinal Chemistry, Drug Discovery and Drug Delivery Systems

Efficient Constitution of a Library of Rotenoid Analogs Active against Trypanosoma cruzi from a Digitalized Plant Extract Collection

23 September 2024 by Arnaud Gaudry and others

Biological and Medicinal Chemistry, Organic Chemistry

Small Molecule Delivery in Living Cells by Gated Hydrolysis of Phosphinate Ester Dyes: Application to Acute Myeloid Leukemia

23 September 2024 by Yuan Fang and others

Biological and Medicinal Chemistry, Analytical Chemistry

Computational improvement of volatile hits to mosquito ORCO odor co-receptors

20 September 2024 by Julio Coll

Biological and Medicinal Chemistry, Bioinformatics and Computational Biology

Graph Transformer Foundation Model for modeling ADMET properties

20 September 2024 by Mikolaj Mizera and others

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

In vitro antischistosomal activity of 2-aroyl-benzofuran derivatives against Schistosoma mansoni

20 September 2024 by Tatiana Vieira and others at

University of São Paulo

Biological and Medicinal Chemistry, Organic Chemistry

Structure-Based Optimization and Biological Evaluation of SARS-CoV-2 3CLpro Covalent Inhibitors

18 September 2024 by Guanyu Wang and others at

McGill University

Biological and Medicinal Chemistry, Drug Discovery and Drug Delivery Systems

Chemical composition and antibacterial activity of the essential oil of Coreopsis lanceolata leaves

18 September 2024 by Richard Lima and others at

University of São Paulo

Biological and Medicinal Chemistry, Organic Chemistry

Non-selective antagonists acting at a stable cell-cell interface have the potential to induce signaling

18 September 2024 by John Proudfoot

Biological and Medicinal Chemistry, Biochemistry

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Articles about Drug Discovery and Drug Delivery Systems