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In Silico Pharmacology|September 8, 2026
Repurposing of DrugBank small molecules against Dengue virus capsid protein: an in silico studyDwaipayan Chaudhuri, Kalyan Giri
In Silico Pharmacology|September 8, 2026
Computational and experimental evaluation of curcumin as a DNMT3B-targeting epigenetic modulator in pancreatic cancerAli Afgar, Saeed Zanganeh, Roohollah Mirzaee Khalilabadi, et al.
In Silico Pharmacology|September 8, 2026
Integrated expression profiling of BCR-ABL and computational identification of ABL1 inhibitors in pediatric acute lymphoblastic leukemiaShahid Ullah, Alex Tonks, Carlos Eliel Maya-Ramírez, et al.
In Silico Pharmacology|September 8, 2026
Computational structure modeling, functional characterization, and identification of potential inhibitors for the cyclic-di-GMP mediated biofilm forming membrane protein in Vibrio choleraeMd Nahid Hasan Joy, Md Kazy Ebnul Hasan, Md Sanowar Hossan, et al.
In Silico Pharmacology|September 8, 2026
Can docking-score differences support 5-HT2A/5-HT2B subtype-selectivity decisions? An audited paired benchmarkSen Ye
In Silico Pharmacology|September 26, 2026
Abietic acid attenuates hyperglycemia and oxidative stress via TLR4-mediated inflammation and PPAR-γ-Nrf2 activation: evidence from network pharmacology and in vivo validationAkash Mishra, Hital Shah
In Silico Pharmacology|September 26, 2026
Deciphering the immunomodulatory mechanisms of piperine during HIV-Mtb co-infection: network pharmacology, docking and molecular dynamicsAnkur Gupta, Anusha Chettri, Pratiksha Khanal, et al.
In Silico Pharmacology|September 26, 2026
Integrated bulk-single-cell transcriptomics identifies IL17RB as a candidate prognostic marker in colon cancerDeborah Oluwaseun Babalola, Xiaoli Sun, Pengchao Deng, et al.
In Silico Pharmacology|October 19, 2026
Design and synthesis of novel benzothiazole-pyrazole derivatives: cytotoxicity against panc-1 cancer cells and EGFR, antioxidant activity, molecular docking, MD simulations, ADMET, and DFT analysisAhmed A Waleed, Hamid H Mohammed, Najim A Al-Masoudi, et al.
In Silico Pharmacology|October 27, 2026
Unraveling novel bioactive phytoconstituents from Annona squamosa L. and their mechanisms of action for the relief from rheumatoid arthritis: an integrated network pharmacology, docking and MD simulations approachMohammad Jane Alam, Md Reaz Morshed, Mehedi Hasan Chowdhury, et al.
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