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3 result(s) for "Yamin, Maham"
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Computational identification and evaluation of curcumin derivatives as potential inhibitors of PPP2R5B to enhance insulin sensitivity
Insulin resistance has been intricately linked to impaired Akt signaling due to the hyperactivation of protein phosphatase 2 A (PP2A). Specifically, the regulatory subunit PPP2R5B plays a crucial role in this dysregulation, making it a promising therapeutic target. This study aimed to identify novel curcumin-derived phytochemicals capable of inhibiting PPP2R5B and improving insulin sensitivity. Initially, approximately 85 curcumin-related compounds were retrieved from the PubChem database and subjected to extensive virtual screening via molecular docking. Among these, curcumin-bicyclopentadione emerged as the lead candidate, exhibiting the strongest binding affinity (− 9.2 kcal mol⁻¹) due to its extensive interactions with key residues ARG64, GLN439, and ARG385. Further MD simulations confirmed their robust binding stability, highlighting sustained hydrogen bonds and minimal structural fluctuations. Pharmacokinetic analyses using DeepPK profiling predicted favorable ADMET properties, including minimal toxicity, no significant cytochrome P450 inhibition, and negligible cardiotoxicity risks. These computational predictions suggest that curcumin-bicyclopentadione and closely related derivatives could effectively inhibit PPP2R5B activity, thereby restoring Akt phosphorylation and insulin-mediated glucose uptake. While promising, these findings necessitate subsequent validation through rigorous experimental assays. The integration of computational and experimental methodologies may ultimately facilitate the development of novel curcumin-based interventions for insulin resistance and associated metabolic disorders, expanding the therapeutic utility of phytochemicals in metabolic disease management.
Non-coding RNAs in the viral host-pathogen interaction: molecular regulation and therapeutic potential
Non-coding RNAs (ncRNAs), including microRNA (miRNA), long non-coding RNA (lncRNA) and circular RNA (circRNA), serve as key regulatory molecules in the context of viral infection. They play dual roles by modulating host immune responses and influencing viral replication, persistence, and disease progression. Numerous ncRNAs have been implicated in infections caused by viruses such as HCV, DENV and SARS-CoV. This review highlights the biogenesis and multifaceted functions of both host-encoded and virus-encoded ncRNAs in shaping host-pathogen interactions. It also examines their potential as novel biomarkers and therapeutic agents for viral infections. We discuss translational applications such as Miravirsen, a miRNA inhibitor that reached clinical trials for Hepatitis C Virus (HCV) and diagnostic relevance of lncRNA NEAT1 in SARS-CoV-2 infection. In the end, we have also addressed the current challenges and limitations involved in translating research observations of ncRNAs to clinical outcomes.