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Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach
Over the past few decades, hit identification has been greatly facilitated by advances in...
Platinum(II)-thiosemicarbazone drugs override the cell resistance due to glutathione; assessment of their activity against human adenocarcinoma cells
New platinum(II) compounds of the thiosemicarbazone 1-(1H-Benzimidazol-2-yl)ethan-1-one...
Cloud Solution for Early Drug Discovery Data Management
Off the shelf, quick to start & easy to use data management solution for SMEs! We live in the world...
Orthologue chemical space and its influence on target prediction
Motivation: In silico approaches often fail to utilize bioactivity data available for orthologous...
Vacuum-assisted evaporative concentration combined with LC-HRMS/MS for ultra-trace-level screening of organic micropollutants in environmental water samples
Vacuum-assisted evaporative concentration (VEC) was successfully applied and validated for the...
Passive Permeability of Planar Lipid Bilayers to Organic Anions
The membrane permeability P of organic ions was reported to be governed by the structure of the...
A drug pocket at the lipid bilayer–potassium channel interface
Many pharmaceutical drugs against neurological and cardiovascular disorders exert their therapeutic...
Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides
DNA damage repair enzymes are promising targets in the development of new therapeutic agents for a...
Hybrid Pharmacophore Design, Molecular Docking, Synthesis, and Biological Evaluation of Novel Aldimine-Type Schiff Base Derivatives as Tubulin Polymerization Inhibitor
A series of hybrid aldimine-type Schiff base derivatives including trimethoxyphenyl ring and...
Rapid Method Development in Hydrophilic Interaction Liquid Chromatography for Pharmaceutical Analysis
A design-of-experiment (DoE) model was developed, able to describe the retention times of a mixture...
Exploring Modifications of an HIV-1 Capsid Inhibitor: Design, Synthesis, and Mechanism of Action
Recent efforts by both academic and pharmaceutical researchers have focused on the HIV-1 capsid...
Halogen bonding enhances activity in a series of dual 5-HT6/D2 ligands designed in a hybrid bioisostere generation/virtual screening protocol
A novel hybrid bioisostere generation/virtual screening method combined with narrowing of chemical...