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In Silico Pharmacology|March 27, 2026
In-silico studies on effective phytochemicals of Crocus sativus, Ocimum tenuiflorum and its modifications targeting NIPAH virusArsha S Nair, D K S Lekshmi, Bhavya Bhadran, et al.
In Silico Pharmacology|May 11, 2026
Molecular insights into fibromyalgia: association of hub genes with pain targets, neuropathic pathways, and stress-related hormonesK Gowri Gopal, Linda S Robi, D R Sherin
In Silico Pharmacology|May 11, 2026
GC‑MS analysis, molecular docking, molecular dynamics simulation, and pharmacokinetic profiling of bioactive compounds from Terminalia bellirica seeds against cervical cancer targetsVenkat Loshni, Thangavelu Lakshmi, Raju Balaji
In Silico Pharmacology|April 20, 2026
Targeting SARS-CoV-2 main protease (3CLpro) with Paeonia-derived phytochemicalsCemal Sandalli, Safiye Merve Bostancioglu, Aytul Sandalli, et al.
In Silico Pharmacology|April 20, 2026
Multi-target anti-hangover mechanisms of andrographolide and its analogs: a hypothesis-generating in silico, in vitro feasibility studyYogesh Jadhav, Smruti Mukadam, Onkar Bhingoli, et al.
In Silico Pharmacology|April 20, 2026
In-silico screening of anti-cancer natural compounds targeting NF-κB as identification of potential therapeutic inhibitorJarin Tasnim, Md Mehedi Hasan, Qandeel Fatima, et al.
In Silico Pharmacology|May 14, 2026
Computational design and in silico evaluation of mesalazine derivatives for enhanced treatment of inflammatory bowel diseaseMd Sohel Rana, Md Fazlay Rabbi, Enamul Haq Rana, et al.
In Silico Pharmacology|June 8, 2026
Integrated ligand-based pharmacophore modeling, molecular docking, and dynamics simulations reveal potential antiviral leads against sweet potato virus diseaseMohammad Rashedul Islam, Dhafer A Alzahrani, Bushra Jahan, et al.
In Silico Pharmacology|June 8, 2026
DeepPurpose based deep learning approach for drug repurposing targeting VEGFR2 in hepatocellular carcinomaMahasin Khan, Judy Jays
In Silico Pharmacology|June 8, 2026
Antibacterial flavonoid derivatives: in silico ADMET, DFT, Molecular Docking, MD Simulation and in vitro verificationAtif Ishfaq, Affifa Tajammal, Riaz Maira, et al.
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