Muhammad Ishfaq

Background: Mitogen-activated protein kinase 3 (MAPK3/ERK1) plays a central role in cellular proliferation, inflammation, apoptosis, and survival signalling and has been implicated in oral squamous cell carcinoma (OSCC), periodontitis, oral lichen planus, and other chronic oral inflammatory diseases. The present study employed an integrated computational workflow combining machine learning (ML)-based quantitative structure–activity relationship (QSAR) modelling, molecular docking, density functional theory (DFT), molecular dynamics (MD) simulation, and MM-GBSA analysis to identify and characterise potent MAPK3 inhibitors. Methods: A curated dataset of 907 experimentally validated MAPK3 inhibitors was retrieved from the ChEMBL database and processed using molecular descriptors and Morgan fingerprints. Multiple ML algorithms were evaluated under scaffold-based validation, with Light Gradient Boosting Machine (LightGBM) demonstrating the best predictive performance. Results: The final model achieved strong classification capability with ROC-AUC values of 0.898 and 0.926. Feature importance analysis revealed that local structural motifs captured by fingerprint descriptors played dominant roles in MAPK3 inhibitory activity. The top-ranked compounds were subjected to molecular docking, where compounds 58324148 and 137531515 exhibited strong binding affinities of −11.9 and −11.0 kcal/mol, respectively. DFT calculations demonstrated favourable electronic properties with low HOMO–LUMO energy gaps, while MD simulations confirmed stable receptor–ligand interactions throughout 200 ns trajectories. MM-GBSA analysis further supported strong binding stability dominated by van der Waals interactions. Conclusions: Overall, the integrated computational framework successfully identified promising MAPK3 inhibitor candidates with potential therapeutic relevance for oral inflammatory and proliferative diseases.

Oral squamous cell carcinoma (OSCC) is a highly aggressive cancer with poor prognosis and limited response to conventional therapies. The fibroblast growth

Objectives A standard cosmetic dentistry procedure that is designed to improve the appearance of stained teeth is external dental whitening. Age, dietary choices, cigarette usage, or teeth trauma are among some of the causes of teeth discoloration. The objective of this study is to study the effects of whitening gels on teeth color, duration of effects, and potential adverse effects. Methods To find studies that satisfied the inclusion criteria, two independent reviewers searched electronic sources, including PubMed, Scopus, Web of Science, and the Cochrane Library, in July 2024, which was updated on August 1, 2024. Changes in tooth color before and after external bleaching were the key end measures for the studies that were chosen, and these changes were measured using either shade guide units (SGU) or a spectrophotometer/colorimeter (ΔE). The effectiveness of various bleaching gels was compared after combining the pertinent research in subgroup analysis. These substances comprise gels based on hydrogen peroxide, carbamide peroxide, and other substances frequently applied during teeth whitening procedures. The Cochran Q test and I² statistic were used to evaluate statistical heterogeneity and ensure the results were reliable. Results The results of this systematic review summarize the most recent data on the effectiveness of various bleaching gels used in external teeth whitening. Regarding ΔE, carbamide peroxide gels performed better than hydrogen peroxide-based whitening gels, although their ΔSGU values were comparable. The quality of evidence for ΔE*, risk, and intensity of teeth sensitivity was graded as moderate in all types of whitening agents. Conclusion Teeth that are stained can be significantly bleached by whitening gels such as hydrogen peroxide and carbamide peroxide. The greater concentration carbamide peroxide bleaching gel showed less tooth sensitivity than the higher concentration HP bleaching gel. Trial registration This study protocol was registered with the International Prospective Register of Systematic Reviews (PROSPERO) dated November 26, 2023, with the registration ID CRD42023483434.

Evaluation of Retentive Strength of 50 Endodontically-Treated Single-Rooted Mandibular Second Premolars Restored with Cast Post Cores Using 5 Common Luting (Cement) Agents - Article abstract #944110

This umbrella review aimed to determine the various drugs used to treat trigeminal neuralgia (TN) and to evaluate their efficacies as well as side effects by surveying previously published reviews. An online search was conducted using PubMed, CRD, EBSCO, Web of Science, Scopus, and the Cochrane Library with no limits on publication date or patients’ gender, age, and ethnicity. Reviews and meta-analyses of randomized controlled trials pertaining to drug therapy for TN, and other relevant review articles added from their reference lists, were evaluated. Rapid reviews, reviews published in languages other than English, and reviews of laboratory studies, case reports, and series were excluded. A total of 588 articles were initially collected; 127 full-text articles were evaluated after removing the duplicates and screening the titles and abstracts, and 11 articles were finally included in this study. Except for carbamazepine, most of the drugs had been inadequately studied. Carbamazepine and oxcarbazepine continue to be the first choice for medication for classical TN. Lamotrigine and baclofen can be regarded as second-line drugs to treat patients not responding to first-line medication or for patients having intolerable side effects from carbamazepine. Drug combinations using carbamazepine, baclofen, gabapentin, ropivacaine, tizanidine, and pimozide can yield satisfactory results and improve the tolerance to the treatment. Intravenous lidocaine can be used to treat acute exaggerations and botulinum toxin-A can be used in refractory cases. Proparacaine, dextromethorphan, and tocainide were reported to be inappropriate for treating TN. Anticonvulsants are successful in managing trigeminal neuralgia; nevertheless, there have been few studies with high levels of proof, making it challenging to compare or even combine their results in a statistically useful way. New research on other drugs, combination therapies, and newer formulations, such as vixotrigine, is awaited. There is conclusive evidence for the efficacy of pharmacological drugs in the treatment of TN.