A5044944147- Computational Drug Discovery Methods
- Analytical Chemistry and Chromatography
- Analytical Methods in Pharmaceuticals
- Receptor Mechanisms and Signaling
- Histone Deacetylase Inhibitors Research
- Free Radicals and Antioxidants
- Cholinesterase and Neurodegenerative Diseases
- Synthesis and biological activity
- Protein Degradation and Inhibitors
- Click Chemistry and Applications
- Crystallization and Solubility Studies
- Antibiotics Pharmacokinetics and Efficacy
- Antioxidant Activity and Oxidative Stress
- Chemical Synthesis and Analysis
- Pharmacological Receptor Mechanisms and Effects
- Neurotransmitter Receptor Influence on Behavior
- Pharmacogenetics and Drug Metabolism
- Protein Interaction Studies and Fluorescence Analysis
- Synthesis and Biological Evaluation
- X-ray Diffraction in Crystallography
- Epigenetics and DNA Methylation
- Nicotinic Acetylcholine Receptors Study
- Electrochemical Analysis and Applications
- Multicomponent Synthesis of Heterocycles
- Photochromic and Fluorescence Chemistry
University of Belgrade
2016-2025
Universitätsklinikum St. Pölten
2024
Karl Landsteiner University of Health Sciences
2024
Deleted Institution
2011-2024
University of Nis
2019-2023
Klinički centar Vojvodine
2021
University Children's Hospital, Belgrade
2020
ORCID
2017
Diseases of infection, neurodegeneration (such as Alzheimer's and Parkinson's diseases), malignancy (cancers) have complex varied causative factors. Modern drug discovery has the power to identify potential modulators for multiple targets from millions compounds. Computational approaches allow determination association each compound with its target before chemical synthesis biological testing is done. These depend on prior identification clinically biologically validated targets. This...
Imidazoline I2 receptors (I2-IRs) are altered in Alzheimer's disease (AD) patients and associated with analgesia. I2-IRs not structurally described, their pharmacological characterization relies on modulation by highly affine ligands. Herein, we describe the synthesis of (3-phenylcarbamoyl-3,4-dihydro-2H-pyrrol-2-yl)phosphonates endowed relevant affinities for human brain tissues. The optimal ADME pharmacokinetic profile a selected compound, 12d, secured its vivo exploration senescence...
Scriptaid is a chemical compound with anti-tumoural effects due to its role as histone deacetylase inhibitor. Despite sharing part of the structure other ligands G-quadruplexes (G4s), interaction G4s has not been explored before. We synthesized and screened cytotoxic activity in cellular models colorectal cancer (CRC). extensively evaluated biological by cell cycle, immunofluorescence, qRT-PCR Western blot experiments. To identify G4 targets Scriptaid, we conducted panel binding assays....
On the basis of N-((5-(3-(1-benzylpiperidin-4-yl)propoxy)-1-methyl-1H-indol-2-yl)methyl)-N-methylprop-2-yn-1-amine (II, ASS234) and QSAR predictions, in this work we have designed, synthesized, evaluated a number new indole derivatives from which identified N-methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine (2, MBA236) as cholinesterase monoamine oxidase dual inhibitor.
The design, synthesis, and biochemical evaluation of donepezil-pyridyl hybrids (DPHs) as multipotent cholinesterase (ChE) monoamine oxidase (MAO) inhibitors for the potential treatment Alzheimer's disease (AD) is reported. 3D-quantitative structure-activity relationship study was used to define 3D-pharmacophores inhibition MAO A/B, acetylcholinesterase (AChE), butyrylcholinesterase (BuChE) enzymes design DPHs novel multi-target drug candidates with impact in therapy AD. DPH14 (Electrophorus...
Permeability assessment of small molecules through the blood-brain barrier (BBB) plays a significant role in development effective central nervous system (CNS) drug candidates. Since vivo methods for BBB permeability estimation require lot time and resources, silico vitro approaches are becoming increasingly popular nowadays faster more economical predictions early phases discovery. In this work, application parallel artificial membrane assay (PAMPA-BBB) computational we aimed to examine...
Abstract Life relies on a myriad of carefully orchestrated processes, in which proteins and their direct interplay ultimately determine cellular function disease. Modulation this complex crosstalk has recently attracted attention, even as novel therapeutic strategy. Herein, we describe the synthesis characterization two visible‐light‐responsive peptide backbone photoswitches based azobenzene derivatives, to exert optical control over protein–protein interactions (PPI). The peptidomimetics...
The mutational status of the isocitrate dehydrogenase (IDH) gene plays a key role in treatment glioma patients because it is known to affect energy metabolism pathways relevant glioma. Physio-metabolic magnetic resonance imaging (MRI) enables non-invasive analysis oxygen and tissue hypoxia as well associated neovascularization microvascular architecture. However, evaluating such complex neuroimaging data requires computational support. Traditional machine learning algorithms simple deep...
The acid–base equilibria of cetirizine were investigated with and without the presence differently charged micelle-forming surfactants (anionic, cationic, nonionic). pKa values potentiometrically determined at 25 °C a constant ionic strength (0.1 M NaCl). Experimental data analyzed by applying computer program Hyperquad 5.2.15. Based on shift in ionization constants (∆pKa) micellar solutions against “pure” water under same conditions, effects micelles protolytic estimated. Applied caused all...
With the aim of simultaneously modulating epigenetic system and protein kinase pathway, we selected enzyme histone deacetylase (HDAC) Rho-associated kinases (ROCK) as desired targets to develop potential multitarget anticancer agents with additional antimetastatic properties. We report here rational design, synthesis, biological evaluation first-in-class HDAC/ROCK inhibitors in pancreatic ductal adenocarcinoma (PDAC) triple-negative breast cancer (TNBC). A molecular docking study performed...
Chronic liver injury characterized by unresolved hepatitis leads to fibrosis, potentially progressing cirrhosis and hepatocellular carcinoma. Effective treatments for halting or reversing fibrosis are currently lacking. This study investigates the potential of HDAC6 as a therapeutic target in fibrosis. We synthesized two selective inhibitors, DR‐3 FDR2, assessed their effects on hepatic stellate cell (HSC) activation using human precision cut slices (hPCLS). Molecular docking, deacetylation...
Defects in epigenetic pathways are key drivers of oncogenic cell proliferation. We developed a LSD1/HDAC6 multitargeting inhibitor (iDual), hydroxamic acid analogue the clinical candidate LSD1 GSK2879552. iDual inhibits both targets with IC50 values 540, 110, and 290 nM, respectively, against LSD1, HDAC6, HDAC8. compared its activity to structurally similar control probes that act by HDAC or inhibition alone, as well an inactive null compound. inhibited growth leukemia lines at higher level...
Different vanillin-based aldehydes were used to synthesize novel tetrahydropyrimidines (THPMs) via conventional Biginelli reaction. The THPMs tested against human normal cells (MRC-5) and cancer cell lines (HeLa, K562, MDA-MB-231). With IC