Current computer-aided drug design

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Current computer-aided drug design - 最新文献

Study on the Mechanism of Alpinia officinarum Hance in the Improvement of Insulin Resistance through Network Pharmacology, Molecular Docking and in vitro Experimental Verification.

Pub Date : 2024-11-01 DOI: 10.2174/0115734099325919241025023026 Mingyan Zhou, Xiuxia Lian, Xuguang Zhang, Jian Xu, Junqing Zhang

Synthesis, Biological Evaluation, Molecular Docking Studies and ADMET Prediction of Oxindole-Based Hybrids for the Treatment of Tuberculosis.

Pub Date : 2024-10-31 DOI: 10.2174/0115734099353857241022102426 Vaishali Pavalbhai Patel, Rati Kailash Prasad Tripathi, Snigdha Das Mandal

Identifying Novel Inhibitors for Dengue NS2B-NS3 Protease by Combining Topological similarity, Molecular Dynamics, MMGBSA and SiteMap Analysis.

Pub Date : 2024-10-29 DOI: 10.2174/0115734099329789240905141013 Sheikh Murtuja, Mohd Usman Mohd Siddique, Kumar Pratyush Srivastava, Yogeeta O Agarwal, Sakshi Wagh, Sabina Yasmin, Azim Ansari, Mohd Sayeed Shaikh, Md Saquib Hasnain, Sameer N Goyal

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