Background: Fibroblast growth factor receptor 3 is known as a favorable aim in vast range of cancers, particularly in bladder cancer treatment. Pharmacophore and QSAR modeling approaches are broadly utilized for developing novel compounds for the determination of inhibitory activity versus the biological target. In this study, these methods employed to identify FGFR3 potential inhibitors.
Methods: To find the potential compounds for bladder cancer targeting, ZINC and NCI databases were screened. Pharmacophore and QSAR modeling of FGFR3 inhibitors were utilized for dataset screening. Then, with regard to several factors such as Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) properties and Lipinski's Rule of Five, the recognized compounds were filtered. In further step, utilizing the flexible docking technique, the obtained compounds interactions with FGFR3 were analyzed.
Results: The best five compounds, namely ZINC09045651, ZINC08433190, ZINC00702764, ZINC00710252 and ZINC00668789 were selected for Molecular Dynamics (MD) studies. Off-targeting of screened compounds was also investigated through CDD search and molecular docking. MD outcomes confirmed docking investigations and revealed that five selected compounds could make steady interactions with the FGFR3 and might have effective inhibitory potencies on FGFR3.
Conclusion: These compounds can be considered as candidates for bladder cancer therapy with improved therapeutic properties and less adverse effects.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9913026 | PMC |
| http://dx.doi.org/10.1186/s12967-023-03955-5 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Predictive value of Bladder EpiCheck in detecting residual tumor before second TUR for non-muscle-invasive bladder cancer.
World J Urol
January 2025
Department of Urology, University of Health Sciences, Bagcilar Training and Research Hospital, Istanbul, 34200, Turkey.
Purpose: As Bladder EpiCheck (BE) is a promising urinary biomarker for diagnosis and follow up of non-muscle-invasive bladder cancer (NMIBC), there are no studies evaluated this tool for second transurethral resection (TUR) indication. We aim to evaluate the performance of BE in predicting residual tumor before second TUR in NMIBC and its effects on clinical decision making.
Methods: A total of 50 patients who were diagnosed with NMIBC and indicated for a second TUR were included in the study prospectively.
Modeling dosimetric benefits from daily adaptive RT for gynecological cancer patients with and without knowledge-based dose prediction.
J Appl Clin Med Phys
January 2025
Department of Radiation Medicine and Applied Sciences, UC San Diego Health, La Jolla, California, USA.
Purpose: Daily online adaptive radiotherapy (ART) improves dose metrics for gynecological cancer patients, but the on-treatment process is resource-intensive requiring longer appointments and additional time from the entire adaptive team. To optimize resource allocation, we propose a model to identify high-priority patients.
Methods: For 49 retrospective cervical and endometrial cancer patients, we calculated two initial plans: the treated standard-of-care (Initial) and a reduced margin initial plan (Initial) for adapting with the Ethos treatment planning system.
A steric hindrance-regulated probe with single excitation dual emissions for self-adaptive detection of biothiols and HS in human urine samples and living cells.
J Mater Chem B
January 2025
Department of General Surgery, The Second Xiangya Hospital, Central South University, Changsha, China.
Sulfur-containing small molecules, mainly including cysteine (Cys), homocysteine (Hcy), glutathione (GSH), and hydrogen sulfide (HS), are crucial biomarkers, and their levels in different body locations (living cells, tissues, blood, urine, saliva, ) are inconsistent and constantly changing. Therefore, it is highly meaningful and challenging to synchronously and accurately detect them in complex multi-component samples without mutual interference. In this work, we propose a steric hindrance-regulated probe, NBD-2FDCI, with single excitation dual emissions to achieve self-adaptive detection of four analytes.
View Article and Find Full Text PDFA stacking ensemble system for identifying the presence of histological variants in bladder carcinoma: a multicenter study.
Front Oncol
January 2025
Department of Urology, The First Affiliated Hospital of Chongqing Medical University, Chongqing, China.
Purpose: To create a system to enable the identification of histological variants of bladder cancer in a simple, efficient, and noninvasive manner.
Material And Methods: In this multicenter diagnostic study, we retrospectively collected basic information and CT images about the patients concerned from three hospitals. An interactive deep learning-based bladder cancer image segmentation framework was constructed using the Swin UNETR algorithm for further features extraction.
Unlabelled: Immune escape is a critical hallmark of cancer progression and underlies resistance to multiple immunotherapies. However, it remains unclear when the genetic events associated with immune escape occur during cancer development. Here, we integrate functional genomics studies of immunomodulatory genes with a tumor evolution reconstruction approach to infer the evolution of immune escape across 38 cancer types from the Pan-Cancer Analysis of Whole Genomes dataset.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!