İsmail Erol

ORCID: 0000-0001-8256-6283
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About
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Research Areas
  • Receptor Mechanisms and Signaling
  • Computational Drug Discovery Methods
  • Protein Structure and Dynamics
  • Neuropeptides and Animal Physiology
  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Luminescence and Fluorescent Materials
  • Cardiac electrophysiology and arrhythmias
  • Molecular Sensors and Ion Detection
  • Probiotics and Fermented Foods
  • SARS-CoV-2 and COVID-19 Research
  • Monoclonal and Polyclonal Antibodies Research
  • Nanoplatforms for cancer theranostics
  • Viral gastroenteritis research and epidemiology
  • Microtubule and mitosis dynamics
  • Bacteriophages and microbial interactions
  • Mass Spectrometry Techniques and Applications
  • Neuroscience and Neuropharmacology Research
  • Metabolism and Genetic Disorders
  • Adsorption, diffusion, and thermodynamic properties of materials
  • Genetics and Neurodevelopmental Disorders
  • Renin-Angiotensin System Studies
  • Enzyme function and inhibition
  • Genomics and Rare Diseases
  • Photochromic and Fluorescence Chemistry

Bahçeşehir University
2016-2025

Gebze Technical University
2014-2023

Yıldız Technical University
2015

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...

10.1016/j.str.2021.07.007 article EN cc-by-nc-nd Structure 2021-08-16

CC2D1A is implicated in a range of conditions, including autism spectrum disorder, intellectual disability, seizures, autosomal recessive nonsyndromic heterotaxy, and ciliary dysfunction. In order to understand the molecular mechanisms underlying these we focused on structural dynamic activity consequences mutations within this gene. study, whole exome sequencing identified c.1552G > A (GLU518LYS) missense mutation an 18-year-old male, linking it disability autism. addition GLU518LYS...

10.1021/acschemneuro.4c00570 article EN cc-by ACS Chemical Neuroscience 2025-01-10

The COVID-19 pandemic caused by a novel coronavirus (SARS-CoV-2) is serious health concern in the twenty-first century for scientists, workers, and all humans. absence of specific biotherapeutics requires new strategies to prevent spread prophylaxis virus its variants. SARS-CoV-2 shows pathogenesis entering host cells via spike protein Angiotensin-Converting Enzyme 2 receptor protein. Thus, present study aims compute binding energies between wide range bacteriocins with receptor-binding...

10.1007/s12602-021-09879-0 article EN other-oa Probiotics and Antimicrobial Proteins 2021-11-27

Dopamine receptor D2 (D2R) plays an important role in the human central nervous system and is a focal target of antipsychotic agents. The D2HighR D2LowR dimeric models previously developed by our group are used to investigate prediction binding affinity LY404,039 ligand its mechanism within catalytic domain. computational data obtained using molecular dynamics simulations fit well with experimental results. calculated affinities MM/PBSA for targets were -12.04 -9.11 kcal/mol, respectively....

10.1021/acschemneuro.7b00070 article EN ACS Chemical Neuroscience 2017-03-08

The inverse gas chromatography (IGC) method was used to obtain thermodynamic and surface properties of the thermotropic liquid crystalline material, 4-[4-((S)-citronellyloxy)benzoyloxy]benzoic acid (CBB). Liquid crystal (LC) selectivity investigated using alcohol acetate isomers by IGC at temperatures between 338.2 K 463.2 K. retention diagrams n-decane, undecane, dodecane, tridecane, n-butyl acetate, iso-butyl ethylbenzene chlorobenzene on CBB were plotted in temperature range 468.2 493.2...

10.1080/02678292.2015.1067334 article EN Liquid Crystals 2015-07-24

The changes in the SARS-CoV-2 genome have resulted emergence of new variants. Some variants been classified as concern (VOC). These strains higher transmission rate and improved fitness. One prevalent were Omicron variant. Unlike previous VOCs, possesses fifteen mutations on spike protein's receptor binding domain (RBD). modifications key amino acid residues facilitate virus' capability against ACE2, resulting an increase infectiousness Consequently, investigating prevention treatment...

10.1080/07391102.2022.2158934 article EN Journal of Biomolecular Structure and Dynamics 2023-01-02

G-protein-coupled receptors (GPCRs) are targets of more than 30% marketed drugs. Investigation on the GPCRs may shed light upcoming drug design studies. In present study, we performed a combination receptor- and ligand-based analysis targeting dopamine D2 receptor (D2R). The signaling pathway D2R activation construction universal pharmacophore models for ligands were also studied. key amino acids, which contributed to regular D2R, in detail investigated by means normal mode (NMA). A derived...

10.1080/07391102.2016.1206487 article EN Journal of Biomolecular Structure and Dynamics 2016-07-01

Angiotensin II type 1 receptor (AT1R) is a prototypical class A G protein-coupled (GPCR) that has an important role in cardiovascular pathologies and blood pressure regulation as well the central nervous system. GPCRs may exist function monomers; however, they can assemble to form higher order structures, result of oligomerization, their signaling profiles be altered. In case AT1R, classical Gαq/11 pathway initiated with endogenous agonist angiotensin binding. variety such heart failure,...

10.1021/acs.jcim.9b00294 article EN Journal of Chemical Information and Modeling 2019-08-20

G protein-coupled receptors (GPCRs) induce signal transduction pathways through coupling to four main subtypes of proteins (G s , i q and 12/13 ), selectively. However, protein selective activation mechanisms residual determinants in GPCRs have remained obscure. Herein, we performed extensive phylogenetic analysis identified specifically conserved residues for the aminergic having similar profiles. By integrating our methodology differential evolutionary conservation protein–specific amino...

10.26508/lsa.202201439 article EN cc-by Life Science Alliance 2022-05-25

The human ether-à-go-go-related gene (hERG) channel plays a crucial role in membrane repolarization. Any disruptions its function can lead to severe cardiovascular disorders such as long QT syndrome (LQTS), which increases the risk of serious problems tachyarrhythmia and sudden cardiac death. Drug-induced LQTS is significant concern has resulted drug withdrawals from market past. main objective this study pinpoint heteroatoms present ligands that initiate interactions leading effective...

10.1021/acsomega.3c06074 article EN cc-by ACS Omega 2023-10-16

Abstract The COVID19 pandemic has resulted in 25+ million reported infections and nearly 850.000 deaths. Research to identify effective therapies for includes: i) designing a vaccine as future protection; ii) structure-based drug design; iii) identifying existing drugs repurpose them immediate treatments. To assist repurposing design, we determined two apo structures of Severe Acute Respiratory Syndrome CoronaVirus-2 main protease at ambienttemperature by Serial Femtosecond X-ray...

10.1101/2020.09.09.287987 preprint EN bioRxiv (Cold Spring Harbor Laboratory) 2020-09-09

Fluorescent labels and probes constitute an important class of organic materials used in the development sensor systems imaging platforms for various chemical molecular biology applications.

10.1039/d1nj00900a article EN New Journal of Chemistry 2021-01-01
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