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A Multi-Technique Investigation of a New Macroacyclic Schiff Base Ligand and its Cd(II), Zn(II) and Cu(II) Complexes
A new macroacyclic Schiff base, 1,3-bis(2((Z)-(hydroxyethylimino)methyl) phenoxy)propan-2-ol,...
Allosteric inhibitors targeting 5’-nucleotidases to restore the antitumor therapy efficacy
In humans, eight 5'-nucleotidases catalyze the hydrolysis of nucleoside 5'-monophosphates into...
Antibacterial Evaluation and Virtual Screening of New Thiazolyl-Triazole Schiff Bases as Potential DNA-Gyrase Inhibitors
The global spread of bacterial resistance to drugs used in therapy requires new potent and safe...
Design and Synthesis of Small Molecule Agonists of EphA2 Receptor
Ligand-independent activation of EphA2 receptor kinase promotes cancer metastasis and invasion....
5-Arylidene(chromenyl-methylene)-thiazolidinediones: Potential New Agents against Mutant Oncoproteins K-Ras, N-Ras and B-Raf in Colorectal Cancer and Melanoma
Background and objectives: Cancer represents the miscommunication between and within the body...
Analysis of the Ligand Efficiency of 4-Thiazolidinone Derivatives with Antitumor Activity
Ligand efficiency analysis has been shown to be useful in the selection and optimization of new...
Outlining migrainous through dihydroergotamine–serotonin receptor interactions using quantum biochemistry
Since the early days of migrainous research, serotonin receptors (5-HTR) have been considered a...
Synthesis, Docking Simulation, Biological Evaluations and 3D-QSAR Study of 1,4-Dihydropyridines as Calcium Channel Blockers
Resurgence to target L-type voltage-dependent calcium channels has been applied by the synthesis of...
Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
We analyze small molecule ligand binding to ATAD2 bromodomain by molecular dynamics and protein...
Transport of N‐Nitrosamines through a Reverse Osmosis Membrane: Role of Molecular Size & Nitrogen Atoms
Reliable and adequate removal of small and uncharged trace organic chemicals, particularly...
Acemetacin–phosphatidylcholine interactions are determined by the drug ionization state
Gastrointestinal (GI) toxicity is a major drawback of the chronic use of nonsteroidal...
Antibacterial prenylated stilbenoids from peanut (Arachis hypogaea)
Stilbenoids are a class of secondary metabolites with a stilbene backbone that can be produced by...