A5080306496- Computational Drug Discovery Methods
- Essential Oils and Antimicrobial Activity
- Phytochemistry and Biological Activities
- Synthesis and biological activity
- Bioactive Compounds and Antitumor Agents
- Cancer Treatment and Pharmacology
- Natural product bioactivities and synthesis
- Phytochemicals and Antioxidant Activities
- Drug-Induced Hepatotoxicity and Protection
- Estrogen and related hormone effects
- Carcinogens and Genotoxicity Assessment
- Cancer therapeutics and mechanisms
- Free Radicals and Antioxidants
- Chemotherapy-induced organ toxicity mitigation
- Pesticide Exposure and Toxicity
- Synthesis and Biological Evaluation
- Phytochemistry and Bioactive Compounds
- Potato Plant Research
- Antibiotic Resistance in Bacteria
- Synthesis of heterocyclic compounds
- Protein Interaction Studies and Fluorescence Analysis
- Synthesis and Properties of Aromatic Compounds
- Cyclization and Aryne Chemistry
- Innovative Microfluidic and Catalytic Techniques Innovation
- Multicomponent Synthesis of Heterocycles
University of Kragujevac
2013-2023
Commercially available pesticides were examined as Mus musculus and Homo sapiens acetylcholinesterase (mAChE hAChE) inhibitors by means of ligand-based (LB) structure-based (SB) in silico approaches. Initially, the crystal structures simazine, monocrotophos, dimethoate, acetamiprid reproduced using various force fields. Subsequently, LB alignment rules assessed applied to determine inter synaptic conformations atrazine, propazine, carbofuran, carbaryl, tebufenozide, imidacloprid, diuron,...
The purpose of the present study was to evaluate antioxidant and antimicrobial potential <italic>Filipendula ulmaria</italic> (L.) Maxim. methanolic extracts, their stabilities under different pH thermal conditions <italic>in vitro</italic> digestibility.
Medicinal plants are considered to be a major source of biologically active compounds, which provides unlimited opportunities for their use either as medical treatments or novel drug formulations. The focus our study was on basic phytochemical analysis and in vitro examination the biological activity Alchemilla vulgaris L. Methanolic extracts above ground parts roots A. (AVA AVR, respectively) were prepared by maceration 72 h. Phytochemical profile evaluated spectrophotometric determinations...
The objective of this work was to investigate the effects methanol extracts of<italic>Gentiana cruciata L.</italic>dilate against carbon tetrachloride-induced liver injury in rats.
The aim of this study was to investigate the antioxidant activity methanolic extracts Filipendula hexapetala Gilib. aerial parts (FHA) and roots (FHR) their potential in different model systems, as well antimicrobial activity. According this, a number assays were employed evaluate F. extracts. In addition, systems carried out, pH, thermal gastrointestinal stability studies. phenolic compounds contents FHA FHR also determined. results showed that had considerable vitro great conditions....
The antioxidant activity of essential oils (EOs) is an important and frequently studied property, yet it not sufficiently understood in terms the contribution EOs mixtures’ constituents biological properties. In this study, a series 61 commercial were first evaluated as antioxidants vitro, following closely possible cellular pathways reactive oxygen species (ROS) generation. Hence, assessed for ability either to chelate metal ions, thus interfering with ROS generation within respiratory...
This report summarizes the chemical composition analysis of
The estrogen receptor α (ERα) represents a 17β-estradiol-inducible transcriptional regulator that initiates the RNA polymerase II-dependent machinery, pointed for breast cancer (BC) development via either genomic direct or indirect (i.e., tethered) pathway. To develop innovative ligands, structure-based (SB) three-dimensional (3-D) quantitative structure–activity relationship (QSAR) studies have been undertaken from structural data taken partial agonists, mixed agonists/antagonists...
Commercially available cathinones are drugs of long-term abuse whose pharmacology is fairly well understood. While their psychedelic effects associated with 5-HT2AR, the enclosed study summarizes efforts to shed light on pharmacodynamic profiles, not yet known at receptor level, using molecular docking and three-dimensional quantitative structure–activity relationship (3-D QSAR) studies. The bioactive conformations were modeled by AutoDock Vina used build structure-based (SB) 3-D QSAR models...
The estrogen receptor α (ERα) is an important biological target mediating 17β-estradiol driven breast cancer (BC) development. Aiming to develop innovative drugs against BC, either wild-type or mutated ligand-ERα complexes were used as source data build structure-based 3-D pharmacophore and QSAR models, afterward tools for the virtual screening of National Cancer Institute datasets hit-to-lead optimization. procedure identified Brefeldin A (BFA) hit, then structurally optimized toward twelve...