Phenolic compounds of Theobroma cacao L. show potential against dengue RdRp protease enzyme inhibition by In-silico docking, DFT study, MD simulation and MMGBSA calculation
通过计算机模拟对接、DFT计算、MD模拟和MMGBSA计算,可可树(Theobroma cacao L.)中的酚类化合物显示出抑制登革热RdRp蛋白酶的潜力。
期刊:PLoS One
影响因子:2.6
doi:10.1371/journal.pone.0299238
Huq, A K M Moyeenul; Roney, Miah; Dubey, Amit; Nasir, Muhammad Hassan; Tufail, Aisha; Aluwi, Mohd Fadhlizil Fasihi Mohd; Ishak, Wan Maznah Wan; Islam, Md Rabiul; Tajuddin, Saiful Nizam