Original ResearchPublished 20 February 2026Roscovitine derivative optimization via molecular dynamics reveals potent and selective CDK5 bindersLorenzo Botta · Giovanni Carotenuto · Manuel Arcieri · Elena Di Nisio · Valerio Perticaroli · Tiziana Castrignanò · Raffaele Saladino · Rodolfo NegriFrontiers in Chemical Biologydoi 10.3389/fchbi.2026.1741100
Original ResearchPublished 30 January 2026A next-generation strategy for HIV-1 vaccination: computational design of a multi-epitope subunit vaccine targeting global circulating variantsSajid Khan · Zarlish Attique · Muhammad Hamza · Lingyu Li · Muhammad Imran · Li Yu · Suping ZhangFrontiers in Virologydoi 10.3389/fviro.2025.1705632
Brief Research ReportPublished 28 January 2026Structure-based virtual screening for TRPM8 modulatorsNivya James · Pedro J. BallesterFrontiers in Drug Discoverydoi 10.3389/fddsv.2026.1770904
Original ResearchPublished 16 January 2026Enhancing structure-based virtual screening of MDM2–p53 inhibitors: a benchmark of machine learning vs. traditional docking scoring functionsMarcia Yineth Castillo Tarazona · Gian Pietro MiscioneFrontiers in Drug Discoverydoi 10.3389/fddsv.2025.1731262
Original ResearchPublished 17 November 2025Network pharmacology-based strategy and phytochemical screening of antioxidants suggesting the potential anti-obesity relevance of soybean food barsTedi Rustandi · Fakhriah Hayati · Fatah Nugroho · Senya Puteri Amalia · Regina Nastasya · Ahmed MahalFrontiers in Natural Productsdoi 10.3389/fntpr.2025.1694933
Epigenetics and EpigenomicsPublished 30 October 2025Epigenetic repurposing of carbohydrate metabolic inhibitors for insulin resistance: targeting DNMT1 and HDAC3 for β-cell restorationMuhammad Javid Iqbal · Luis A. SalazarFrontiers in Epigenetics and Epigenomicsdoi 10.3389/freae.2025.1691949
ParasitologyPublished 30 July 2025Guanine derivatives as promising candidates for the development of purine-based antimalarial drugsWorlanyo Tashie · Harry P. de Koning · Nancy O. Duah-Quashie · Neils B. QuashieFrontiers in Parasitologydoi 10.3389/fpara.2025.1634209
NeuroenergeticsPublished 12 December 2011Activation of Astroglial Calcium Signaling by Endogenous Metabolites Succinate and Gamma-Hydroxybutyrate in the Nucleus AccumbensTünde Molnár · László Héja · Zsuzsa Emri · Ágnes Simon · Gabriella Nyitrai · Ildikó Pál · Julianna KardosFrontiers in Neuroenergeticsdoi 10.3389/fnene.2011.00007
