Computational exploration of natural product inhibitors against mutant Plasmodium falciparum DHFR through pharmacophore modeling, docking, and MD simulations
通过药效团建模、分子对接和分子动力学模拟,对天然产物抑制剂对抗突变型恶性疟原虫二氢叶酸还原酶(DHFR)进行计算探索
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doi:10.1007/s40203-025-00533-z
Gogoi, Dhrubajyoti; Gogoi, Barbi; Dutta, Partha Pratim; Kalita, Jun Moni; Khataniar, Ankita; Sharma, Manash Pratim; Mandhadi, Jithendar Reddy; Phukan, Mayur Mausoom; Verma, Akhilesh Kumar