In the second phase of our study, we have edited the structure of midazolam with an attempt to improve its binding affinity towards GABAa receptor. For that purpose, fluorination at...
Read onThe mitochondrial protein dynamin-related protein (Drp1) has been implicated in the development of a number of neurodegenerative diseases, including Alzheimer’s disease. To date, no direct small molecule inhibitors of human...
Read onGlioblastoma, also known as glioblastoma multiforme (GMB) is a highly lethal brain tumor particularly devastating among the cancers in the brain with less than two years of median survival rate...
Read onAryl hydrocarbon Receptor (AhR) represents a network hub of genomic and non-genomic signaling pathways, which connects environmental factors to immune system. In physiologic conditions, this receptor mediates important effects on...
Read onFollowing our main goal, we developed a ligand-based and chemometrics study with six different in-house databases of ABC, RND and MFS substrates. Calculations with the FTrees conducted us to understand...
Read onNovel cholinesterase inhibitors that would be able to cross the blood brain barrier have been the focus of investigations dealing with Alzheimer’s disease. In our studies we have experimentally evaluated...
Read onSince last 12 months, with the help of Biosolveit software we have identified a novel chemical scaffold which acts as a potent inhibitor of human voltage-gated Na+ ion channel Nav1.7...
Read onDuring last 12 months, we have been working in a new project about protein-protein interactions (PPIs). We have developed the project with the computational support of Biosolveit software. Chronic kidney...
Read onFor 12 months of fruitful work we have been able to find out the key factor causing the pharmacological activity of the ligand, to design a molecule with potential activity...
Read onThe discovery of bioactive small molecules is an expensive and time consuming yet central task in drug discovery. A potentially superior way to identify new drug candidates is the selective...
Read onPeptidoglycan transglycosylases or alternatively called glycosyltransferases (GTs) are membrane-bound enzymes that catalyze the polymerization step in cell-wall biosynthesis. They represent a prominent target in antibacterial drug discovery and only a...
Read onNatural products have proven to inhibit Lysine-Specific Demethylase-1 (LSD1) were retrieved from literature, and structure-activity relationship (SAR) is depicted using See SAR software. See SAR helped us to visualize hydrophobic,...
Read onUsually the process of inflammation is accompanied by neurodegenerative diseases. It may be either a nonspecific response of cells to the nervous system disease or it causes the disease. It...
Read onA structure-based drug discovery (SBDD) strategy was followed by using the quinoxaline derivative (ZINC 08382282, previously identified as a glucansucrase inhibitor by other authors) as lead molecule to perform a...
Read onEpidermal growth factor receptor is one of the most studied cancer drug target of pharmaceutical relevance. Several first generation inhibitors of EGFR (Gefitinib and Erlotinib) are in clinical use targeting...
Read onPrion disorders are fatal neurodegenerative conditions caused by the conformational conversion of the normal, cellular prion protein (PrPC) into a misfolded isoform (PrPSc) that accumulates in the brain of affected...
Read on