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Drug Discovery and Drug Delivery Systems
Ligands docking to ORF8 by co-evolution. Could they reduce the inflammation levels induced by SARS-COV-2 infections?
23 November 2023 by
Melissa Bello-perez
and
Julio Coll
Biological and Medicinal Chemistry
,
Drug Discovery and Drug Delivery Systems
Traversing Chemical Space with Active Deep Learning
23 November 2023 by
Derek Van Tilborg
and
Francesca Grisoni
at
Princeton University
Biological and Medicinal Chemistry
,
Bioinformatics and Computational Biology
Using Machine Learning to Predict the Antibacterial Activity of Ruthenium Complexes
23 November 2023 by
Markus Orsi
and
others
at
National University of Singapore
Biological and Medicinal Chemistry
,
Organometallic Chemistry
Patient-derived Immunocompetent Tumor Organoids: A Platform for Chemotherapy Evaluation in the Context of T-cell Recognition
20 November 2023 by
Zihan Zhao
and
others
at
Nanjing University
Biological and Medicinal Chemistry
,
Drug Discovery and Drug Delivery Systems
Bioisosteres at C9 of 2,3-didehydro-5-N-acetyl neuraminic acid identify selective inhibitors of NEU3
20 November 2023 by
Mostafa Radwan
and
Christopher Cairo
at
University of Alberta
Biological and Medicinal Chemistry
,
Drug Discovery and Drug Delivery Systems
Therapeutic peptides are preferentially solubilized in specific microenvironments within PEG-PLGA polymer nanoparticles
15 November 2023 by
Raquel Lopez-rios De Castro
and
others
at
King's College London
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
Synthesis of α3β4 Nicotinic Acetylcholine Receptor Modulators Derived from Aristoquinoline that Reduce Reinstatement of Cocaine-Seeking Behavior
15 November 2023 by
Lisa Rusali
and
others
Biological and Medicinal Chemistry
,
Organic Chemistry
Design, Synthesis and Biological Evaluation of Chalcone Acetamide Derivatives against Triple Negative Breast Cancer
14 November 2023 by
Puneet Kumar
and
others
Biological and Medicinal Chemistry
,
Drug Discovery and Drug Delivery Systems
ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery
14 November 2023 by
Jochem Nelen
and
others
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
Bioisosteres at C9 of 2,3-didehydro-5-N-acetyl neuraminic acid identify selective inhibitors of NEU3
14 November 2023 by
Mostafa Radwan
and
Christopher Cairo
at
University of Alberta
Biological and Medicinal Chemistry
,
Drug Discovery and Drug Delivery Systems
Design, synthesis, and biological characterization of proteolysis targeting chimera (PROTACs) for the Ataxia telangiectasia and RAD3-related (ATR) kinase
10 November 2023 by
Abdallah Alfayomy
and
others
at
Mainz Institute for Theoretical Physics
Biological and Medicinal Chemistry
,
Cell and Molecular Biology
Synthesis and Structural Optimization of ATG4B Inhibitors for the Attenuation of Treatment-Induced Autophagy in Glioblastoma
10 November 2023 by
Karl Scheidt
and
others
at
Northwestern University
Biological and Medicinal Chemistry
,
Drug Discovery and Drug Delivery Systems
Prediction of Drug Distribution to Each Tissue Using Random Forest Twice with In Vitro Experimental Values and Predicted Kp Values of Other Tissues
9 November 2023 by
Koichi Handa
and
others
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
Consensus screening for a challenging target: the quest for P-glycoprotein inhibitors
8 November 2023 by
Paolo Governa
and
others
at
Scripps Research Institute
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
Traversing Chemical Space with Active Deep Learning
8 November 2023 by
Derek Van Tilborg
and
Francesca Grisoni
at
Princeton University
Biological and Medicinal Chemistry
,
Bioinformatics and Computational Biology
Design and synthesis of 4-amino-2’,4’-dihydroxyindanone derivatives as potent inhibitors of tyrosinase and melanin biosynthesis in human melanoma cells
8 November 2023 by
Leticia Lazinski
and
others
at
Marseille
Biological and Medicinal Chemistry
,
Drug Discovery and Drug Delivery Systems
REINVENT4: Modern AI–Driven Generative Molecule Design
6 November 2023 by
Hannes Loeffler
and
others
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
Metabolomic Analysis and SARS-CoV-2 Antiviral Screening of Marine Cyanobacterial Library Identify Jobosnoic Acid, an Unreported Virus-selective Fatty Acid Inhibitor.
6 November 2023 by
Marie Matos-hernández
and
others
Biological and Medicinal Chemistry
,
Drug Discovery and Drug Delivery Systems
A Perspective on Covalent Inhibitors: Research and Development Trends of Warheads and Targets
6 November 2023 by
Haitao Chen
and
others
Biological and Medicinal Chemistry
,
Drug Discovery and Drug Delivery Systems
Compounds from Morchella esculenta as Potential Inhibitors of RNA-Binding Protein La in Ovarian Cancer: A Molecular Modeling and Quantum Mechanics Approach
3 November 2023 by
Gbenga Dairo
and
others
at
Western Illinois University
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
Synthesis of 15N-Pyridines and Higher Mass Isotopologs via Zincke Imine Intermediates
2 November 2023 by
Hillary M. H. Nguyen
and
others
at
Colorado State University
Biological and Medicinal Chemistry
,
Organic Chemistry
Finding for New Drugs in Nature for Neglected Tropical Diseases: In Silico Study of Homolycorine Alkaloids against Chagas Disease
31 October 2023 by
Daniel Mora
and
others
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
Resiniferatoxin: Mechanism in Treating Osteoarthritis Pain and Slowing Osteoarthritis Progression, Safety, and Efficacy
31 October 2023 by
David Liu
Biological and Medicinal Chemistry
,
Organic Chemistry
Exploring the Effect of Temperature on the Concentration of Salicylic Acid in Acetylsalicylic Acid
30 October 2023 by
Rojina Karimirad
at
Editors
Biological and Medicinal Chemistry
,
Organic Chemistry
Scoring Methods in Lead Optimization of Molecular Glues
30 October 2023 by
Lei Jia
and
others
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
Insulin–Dendrimer Nanocomplex for Multi-Day Glucose-Responsive Therapy in Mice and Swine
30 October 2023 by
Sijie Xian
and
others
at
University of Notre Dame
Biological and Medicinal Chemistry
,
Drug Discovery and Drug Delivery Systems
Poacic Acid, a Plant-Derived Stilbenoid, Augments Cell-Wall Chitin Production, but Its Antifungal Activity Is Hindered by this Polysaccharide and by Fungal Essential Metals
27 October 2023 by
Adi Yona
and
Micha Fridman
at
Tel Aviv University
Biological and Medicinal Chemistry
,
Chemical Biology
Molecular Exchange in Lipid Nanoparticles via Time-Resolved Small Angle Neutron Scattering
26 October 2023 by
Shayna Hilburg
and
others
at
University of Washington
Physical Chemistry
,
Biological and Medicinal Chemistry
Scoring Methods in Lead Optimization of Molecular Glues
25 October 2023 by
Lei Jia
and
others
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
Elion: A Deep Learning Based Platform for Multi-Objective Drug Hit Optimization
25 October 2023 by
Gustavo Seabra
and
Chenglong Li
at
University of Florida
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
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