A5080235407- Computational Drug Discovery Methods
- Receptor Mechanisms and Signaling
- Enzyme function and inhibition
- SARS-CoV-2 and COVID-19 Research
- Cholinesterase and Neurodegenerative Diseases
- Synthesis and biological activity
- Cardiac electrophysiology and arrhythmias
- Protein Structure and Dynamics
- Ion channel regulation and function
- Chemical Synthesis and Analysis
- Monoclonal and Polyclonal Antibodies Research
- thermodynamics and calorimetric analyses
- Lipid Membrane Structure and Behavior
- Synthesis and Catalytic Reactions
- Click Chemistry and Applications
- Neuropeptides and Animal Physiology
- Pharmacological Receptor Mechanisms and Effects
- Cancer therapeutics and mechanisms
- Neuroscience and Neuropharmacology Research
- HIV/AIDS drug development and treatment
- Chemical Reactions and Mechanisms
- Machine Learning in Bioinformatics
- Phenothiazines and Benzothiazines Synthesis and Activities
- Ubiquitin and proteasome pathways
- Fullerene Chemistry and Applications
Bahçeşehir University
2016-2025
Presbyterian College
2024
Augusta University Health
2024
King's College London
2019
Allen Institute
2019
Koch Institute for Integrative Cancer Research At MIT
2019
Laboratoire d'Excellence Canaux Ioniques d'Intérêt Thérapeutique
2019
Inserm
2019
Université de Lille
2019
İzmir University of Economics
2019
Inwardly rectifying potassium (Kir) channels play an important role in setting the resting membrane potential and modulating excitability. We have recently shown that cholesterol regulates representative members of Kir family majority cases, suppresses channel function. Furthermore, recent data indicate by specific sterol-protein interactions, yet location binding site is unknown. Using a combined computational-experimental approach, we show may bind to two nonanular hydrophobic regions...
Acetylcholinesterase (AChE) and Butyrylcholinesterase (BuChE) inhibitors are interesting compounds for different therapeutic applications, among which Alzheimer's disease. Here, we investigated the inhibition of these cholinesterases with uracil derivatives. The mechanism enzymes was observed to be due obstruction active site entrance by scaffold. Molecular docking molecular dynamics (MD) simulations demonstrated possible key interactions between studied ligands amino acid residues at...
The abnormal levels of the human carbonic anhydrase isoenzymes I and II (hCA II) cholinesterase enzymes, namely, acetylcholinesterase (AChE) butyrylcholinesterase (BChE), are linked with various disorders including Alzheimer's disease. In this study, six new nicotinic hydrazide derivatives (7–12) were designed synthesized for first time, their inhibitory profiles against hCA I, II, AChE, BChE investigated by in vitro assays silico studies. structures novel molecules elucidated using...
Long QT syndrome, LQTS, results in serious cardiovascular disorders, such as tachyarrhythmia and sudden cardiac death. A promiscuous binding of different drugs to the intracavitary site pore domain (PD) human ether-a-go-go related gene (hERG) channels leads a similar dysfunction, known drug-induced LQTS. Therefore, an assessment blocking ability for potent is great pragmatic value molecular pharmacology medicinal chemistry hERGs. Thus, we attempted create silico model aimed at blinded drug...
Human α-glucosidase is an enzyme involved in the catalytic cleavage of glucoside bond and numerous functionalities organism, as well insurgence diabetes mellitus 2 obesity. Thus, developing chemicals that inhibit this a promising approach for treatment several pathologies. Small peptides such di- tri-peptides may be natural organism GI tract high concentration, coming from digestive process meat, wheat milk proteins. In work, we reported first tentative hierarchical structure-based virtual...
The human ether-a-go-go related gene 1 (hERG1) K ion channel is a key element for the rapid component of delayed rectified potassium current in cardiac myocytes. Since there are no crystal structures hERG channels, creation and validation its reliable atomistic models have been targets molecular cardiology past decade. In this study, we developed vigorously validated open, closed, open-inactivated states hERG1 using multistep protocol. conserved elements were derived multiple-template...
The COVID-19 pandemic has resulted in 198 million reported infections and more than 4 deaths as of July 2021 (covid19.who.int). Research to identify effective therapies for includes: (1) designing a vaccine future protection; (2) de novo drug discovery; (3) identifying existing drugs repurpose them immediate treatments. To assist repurposing design, we determine two apo structures severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease at ambient temperature by serial...
X-ray crystallography is a robust and powerful structural biology technique that provides high-resolution atomic structures of biomacromolecules. Scientists use this to unravel mechanistic details biological macromolecules (e.g., proteins, nucleic acids, protein complexes, protein-nucleic acid or large compartments). Since its inception, single-crystal cryocrystallography has never been performed in Türkiye due the lack diffractometer. The diffraction facility recently established at...