A5071965925- Computational Drug Discovery Methods
- SARS-CoV-2 and COVID-19 Research
- Autophagy in Disease and Therapy
- Protein Degradation and Inhibitors
- RNA Interference and Gene Delivery
- COVID-19 Clinical Research Studies
- Histone Deacetylase Inhibitors Research
- Enzyme function and inhibition
- Cell death mechanisms and regulation
- Synthesis and Characterization of Heterocyclic Compounds
- thermodynamics and calorimetric analyses
- X-ray Diffraction in Crystallography
- MicroRNA in disease regulation
- Tuberous Sclerosis Complex Research
- Chromatin Remodeling and Cancer
- Protein Structure and Dynamics
- Congenital Anomalies and Fetal Surgery
- Advanced Breast Cancer Therapies
- Vitamin C and Antioxidants Research
- Respiratory viral infections research
- Meningioma and schwannoma management
- PI3K/AKT/mTOR signaling in cancer
- Synthesis and biological activity
- Advanced biosensing and bioanalysis techniques
- Bioactive Compounds and Antitumor Agents
Bahçeşehir University
2020-2024
Ankara University
2024
Istanbul Technical University
2019-2021
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...
Small molecule inhibitors have previously been investigated in different studies as possible therapeutics the treatment of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2). In current drug repurposing study, we identified leukotriene (D4) receptor antagonist montelukast a novel agent that simultaneously targets two important SARS-CoV-2. We initially demonstrated dual inhibition profile through multiscale molecular modeling studies. Next, characterized its effect on both by vitro...
Antiapoptotic members of BCL-2 family proteins are one the overexpressed in cancer cells that oncogenic targets raise hopes for new therapeutic discoveries. Here, we have used multi-step screening and filtering approaches combine structure ligand-based drug design to identify new, effective inhibitors from small molecules database Specs SC. Compounds first filtered based on binary "cancer-QSAR" model common 26 toxicity QSAR models. Non-toxic compounds considered target-driven studies here...
Anti-apoptotic members of the Bcl-2 family proteins play central roles in regulation cell death glioblastoma (GBM), most malignant type brain tumor. Despite advances GBM treatment, there is still an urgent need for new therapeutic approaches. Here, we report a novel 4-thiazolidinone derivative BH3 mimetic, BAU-243 that binds to with high affinity. effectively reduced overall proliferation including subpopulation cancer-initiating cells contrast selective inhibitor ABT-199. While ABT-199...
Chiari malformation type I (CMI) is a brain that characterized by herniation of the cerebellum into spinal canal. highly heterogeneous; therefore, an accurate explanation pathogenesis disease often not possible. Although some studies showed role genetics in CMI, involvement genetic variations CMI has been thoroughly elucidated. Therefore, current study we aim to reveal CMI-associated genomic familial cases.Four patients and 7 unaffected healthy members two distinct families were analyzed. A...
Abstract In the current study, we used 7922 FDA approved small molecule drugs as well compounds in clinical investigation from NIH's NPC database our drug repurposing study. SARS‐CoV‐2 main protease Spike protein/ACE2 targets were virtual screening and top‐100 each docking simulations considered initially short molecular dynamics (MD) their average binding energies calculated by MM/GBSA method. Promising hit selected based on scores then long MD simulations. Based these numerical...
Abstract In recent years, various compounds including the aminoguanidine scaffold have been reported to exhibit diverse biological activities. current study, 16 that include guanylhydrazone (aminoguanidine) moiety ( 3 a – p ) were synthesized and characterized through spectrum data, 1 H‐NMR, 13 C‐NMR, FT‐IR. Furthermore, proposed structure of was resolved by single‐crystal X‐ray diffractometer. The prepared then tested for their different in vitro activities antitumor against several types...
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...
Abstract The function of direct DNA damage repair protein, namely MGMT in MM, and the impact on melphalan treatment remains unclear. We showed a significantly higher mRNA expression CD138+ myeloma cells than matched CD138‐nontumorigenic derived from newly diagnosed relapsed/refractory MM patients using qPCR. However, gene databases, similar was observed during disease progression. depletion by its specific inhibitor lomeguatrib reduced cell viability, impaired S phase entry repair, increased...
INTRODUCTION: Anti-apoptotic members of the Bcl-2 family proteins play central roles in regulation cell death glioblastoma, most malignant type brain tumor. Despite advances GBM treatment, there is still an urgent need for new therapeutic approaches. METHODS: In silico studies resulted 500,000 molecules being screened with computer-aided drug design methods and molecule highest binding affinity was selected named BAU-243. Cell viability, IC50 value, tumor formation potential, spheroid...
Abstract The excessive expression of antiapoptotic members in the B-cell leukemia/lymphoma-2 (BCL-2) family proteins emerges as a noteworthy oncogenic target cancer cells. Employing multistep virtual screening and filtering approach that integrates structure ligand-based drug design, we aimed to identify novel potent BCL-2 inhibitors from sizable small molecule database, comprising over 210,000 compounds. Subsequently, seven selected molecules underwent rigorous biological activity tests...
AIM:To elucidate the association of MTHFR, MTRR, and RAD54L gene variations with meningioma in Turkish cohort. MATERIAL METHODS:DNAs were isolated from 87 retrospective samples.The hotspot regions amplified specific primers via polymerase chain reaction (PCR), next-generation sequencing (NGS) was performed.All detected single-nucleotide polymorphisms (SNPs) listed compared healthy control frequencies different genomic databases.The histopathological characteristics meningiomas...
Cell cycle inhibitors are considered as hallmark strategy for cancer treatment due to their relatively higher selectivity and efficacy on various types in comparison cytotoxic agents. Small molecules target dividing cells G1/S, G2 or M phases of arrest eventually trigger enter apoptosis and/or inhibit tumor growth. at G2/M phase is a widely used approach proliferating cells. We report novel angiotensin II receptor type I (AT1R) antagonist that also targets CDC2 (CDK1) kinase thereby showing...
Abstract Small molecule inhibitors have previously been investigated in different studies as possible therapeutics the treatment of SARS-CoV-2. In current drug repurposing study, we identified leukotriene (D4) receptor antagonist Montelukast a novel agent that simultaneously targets two important We initially demonstrated dual inhibition profile through multiscale molecular modeling studies. Next, characterized its effect on both by vitro experiments including Fluorescent Resonance Energy...
Cancer is a significant health issue all over the world causing severe decline in life expectancy of patients and their standards. Traditional cancer treatment methods such as chemotherapy, surgical intervention radiotherapy lead to critical side effects systemic toxicity drug resistance development. In last decades, controlled delivery systems have been studied overcome those limitations. The study aims release on brain cells. Therefore, chitosan microspheres were potentially used carriers,...