In silico pharmacology

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In silico pharmacology - 最新文献

Using immunoinformatics and bioinformatics approach to design novel and effective rational in-silico vaccine against human Astrovirus targeting the capsid polyprotein VP90: a silent threat to global gastrointestinal tract.

Pub Date : 2025-09-24 DOI: 10.1007/s40203-025-00428-z Itazaz Ul Haq, Najeeb Ullah, Muhammad Rahiyab, Ruqia Sartaj, Ishaq Khan, Syed Shujait Ali, Fazal Akbar, Arshad Iqbal

In silico ligand self-assembly drives binding recognition of natural products into Anopheles gambiae cytosolic sulfotransferases (AgSULT-001425) protein.

Pub Date : 2025-09-18 DOI: 10.1007/s40203-025-00403-8 Angelina I Makaye, Lucas Paul, Said A H Vuai, Daniel M Shadrack

Naringenin and its structural analogues inhibit CDK2: a combined MD-MMGBSA and protein-ligand interaction study for colon cancer.

Pub Date : 2025-09-18 DOI: 10.1007/s40203-025-00420-7 Francis Dhiya, K S Sindhu, J Kavitha, Varughese Jibin, Vincent Maria, T G Abi

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