HIV病毒是一種反轉錄病毒，其病毒RNA上的18個引子結合區(PBS)會與宿主細胞的tRNA-Lys3之反引子結合序列(anti-PBS)進行互補配對，開啟一連串反轉錄步驟。本文以分子動力學研究觀察此一作用區域之動態行為，分析分子穩定性及結構特徵，顯示出tRNA-Lys3中以及病毒PBS片段上較不穩定的部分。此外，本文進一步比較不同PBS鹼基序列與tRNA-Lys3交互作用的差異性，藉此了解tRNA-Lys3的反引子結合序列及引子結合序列對反轉錄作用產生之影響。由研究結果顯示，PBS特定區域的變異會影響tRNA-PBS配對的活躍性，而此結果可供其他研究者在HIV-1的病毒與變異PBS結合的活性實驗結果做一相互印證。

Virus HIV-1 is a kind of retrovirus, and RNA primer binding of virus (PBS) will complementary interact with anti-primer binding site(anti-PBS) in tRNALys3. There are 18 base pairs and a series of reverse transcription steps that will be produced during the complementary interactions of PBS and anti-PBS. In this study, molecular dynamics is utilized to observe the dynamic behaviors, molecular stability and the structure of tRNA-Lys3. The results shown the unstable part in tRNALys3.To realize the efficiency of reverse transcription, the difference between the interactions of primer binding site (PBS) and tRNA-Lys3 with different RNA base sequence are also compared in this study. The results shown that the HIV-1 activity will be affected by the specific modification on the base sequence of PBS

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