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S.K. Baidya, S. Banerjee, B. Ghosh, T. Jha & N. Adhikari. (2023) Assessing structural insights into in-house arylsulfonyl L-(+) glutamine MMP-2 inhibitors as promising anticancer agents through structure-based computational modelling approaches. SAR and QSAR in Environmental Research 34:10, pages 805-830.
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Sasikala Maadwar & Rajitha Galla. (2019) Cytotoxic oxindole derivatives: in vitro EGFR inhibition, pharmacophore modeling, 3D-QSAR and molecular dynamics studies. Journal of Receptors and Signal Transduction 39:5-6, pages 460-469.
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Arun John, Muthukumaran Sivashanmugam, Vetrivel Umashankar & Sulochana Konerirajapuram Natarajan. (2017) Virtual screening, molecular dynamics, and binding free energy calculations on human carbonic anhydrase IX catalytic domain for deciphering potential leads. Journal of Biomolecular Structure and Dynamics 35:10, pages 2155-2168.
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Articles from other publishers (6)
Sisi Liu, Yaxin Li, Xilin Wei, Ran Zhang, Yifan Zhang & Chunyan Guo. (2022) Computational Investigations of Coumarin Derivatives as Cyclindependent
Kinase 9 Inhibitors Using 3D-QSAR, Molecular Docking and
Molecular Dynamics Simulation. Current Computer-Aided Drug Design 18:5, pages 363-380.
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Shahrukh Qureshi, Ravina Khandelwal, Maddala Madhavi, Naveesha Khurana, Neha Gupta, Saurav K. Choudhary, Revathy A. Suresh, Lima Hazarika, Chillamcherla D. Srija, Khushboo Sharma, Mali R. Hindala, Tajamul Hussain, Anuraj Nayarisseri & Sanjeev K. Singh. (2021) A Multi-target Drug Designing for BTK, MMP9, Proteasome and TAK1 for the Clinical Treatment of Mantle Cell Lymphoma. Current Topics in Medicinal Chemistry 21:9, pages 790-818.
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Ya-ting Deng, Jun-wei Wang, Han Chu, Juan Wang, Yong Hu, Yong lin, Mao Shu & Zhi-hua Lin. (2020) 3D-QSAR and Docking Studies on Pyrimidine Derivatives as CSF-1R Inhibitors. Letters in Drug Design & Discovery 17:3, pages 341-355.
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Mingxing Wang, Ying Wang, Dejiang Kong, Hailun Jiang, Jian Wang & Maosheng Cheng. (2018) In silico exploration of aryl sulfonamide analogs as voltage-gated sodium channel 1.7 inhibitors by using 3D-QSAR, molecular docking study, and molecular dynamics simulations. Computational Biology and Chemistry 77, pages 214-225.
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Deepak Reddy Gade, Amareswararao Makkapati, Rajesh Babu Yarlagadda, Godefridus J. Peters, B.S. Sastry & V.V.S. Rajendra Prasad. (2018) Elucidation of chemosensitization effect of acridones in cancer cell lines: Combined pharmacophore modeling, 3D QSAR, and molecular dynamics studies. Computational Biology and Chemistry 74, pages 63-75.
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A.M. Alhassan, Q.U. Ahmed, J. Latip, S.A.A. Shah, A.'a.Y.F. Khan, M.N. Sarian, R.A. Wahab, M. Taher, M.I. Abdullahi & A. Khatib. (2018) Phytoconstituents from Vernonia glaberrima Welw. Ex O. Hoffm. leaves and their cytotoxic activities on a panel of human cancer cell lines. South African Journal of Botany 116, pages 16-24.
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