IDENTIFIKASI SENYAWA BIOAKTIF DARI EKSTRAK METANOL BIJI Veitchia merrillii DENGAN LC-MS SEBAGAI ANTIVIRUS INHIBITOR POTENSIAL YANG MENARGETKAN PROTEASE, INTEGRASE, DAN REVERSE TRANSCRIPTASE HIV-1: SEBUAH STUDI IN SILICO

LC-MS IDENTIFICATION OF BIOACTIVE COMPOUNDS FROM THE METHANOL EXTRACT OF Veitchia merrillii SEEDS AS POTENTIAL ANTIVIRAL INHIBITORS TARGETING HIV-1 PROTEASE, INTEGRASE, AND REVERSE TRANSCRIPTASE: AN IN SILICO STUDY

Human Immunodeficiency Virus tipe 1 (HIV-1) adalah salah satu virus paling berbahaya yang menyerang sistem kekebalan tubuh, menyebabkan sindrom defisiensi imun yang didapat (AIDS). Enzim seperti protease (PR), integrase (IN), dan transkriptase terbalik (RT) adalah reseptor protein yang memainkan peran penting dalam proses replikasi HIV. Veitchia merrillii adalah tanaman hias umum dalam famili Arecaceae, dengan kandungan senyawa fenolik dan flavonoid yang tinggi. Studi ini bertujuan untuk mengidentifikasi senyawa dalam ekstrak metanol biji V. merrillii yang berpotensi menjadi inhibitor dari tiga reseptor (protease, integrase, dan transkriptase balik) yang terlibat dalam replikasi HIV-1. Biji V. merrillii diekstrak dengan maserasi dalam metanol. Senyawa bioaktif dalam ekstrak diidentifikasi menggunakan kromatografi cair kinerja ultra-spektrometri massa (UPLC-MS). Senyawa yang diidentifikasi diuji aktivitas penghambatannya terhadap tiga enzim HIV-1 menggunakan studi in silico. Analisis UPLC-MS mengidentifikasi 39 senyawa dalam ekstrak metanol biji V. merrillii. Studi penambatan molekuler mengungkapkan tiga senyawa dalam ekstrak metanol biji V. merrillii, termasuk epicatechin-3-O-gallate, 3-O-acetyl-16-α-hydroxydehydrotrametenol acid, dan epigallocatechin gallate sebagai inhibitor potensial dari tiga enzim HIV-1 (protease, integrase, dan transkriptase balik) dengan afinitas pengikatan yang lebih stabil daripada obat kontrol. Analisis PASSOnline menemukan bahwa ketiga senyawa bioaktif potensial ini memiliki aktivitas anti-HIV, sehingga mendukung hasil penambatan. Penelitian lebih lanjut, termasuk studi in vitro dan in vivo, diperlukan untuk membuktikan potensi senyawa ini sebagai agen antiretroviral terhadap HIV-1.

Human Immunodeficiency Virus type 1 (HIV-1) is one of the most dangerous viruses that attacks the immune system, causing acquired immune deficiency syndrome (AIDS). Enzymes such as protease (PR), integrase (IN), and reverse transcriptase (RT) are protein receptors that play crucial roles in the HIV replication process. Veitchia merrillii is a common ornamental plant in the Arecaceae family, with a high content of phenolic and flavonoid compounds. This study aimed to identify the compounds in the methanol extract of V. merrillii seeds that could be potential inhibitors of three receptors (protease, integrase, and reverse transcriptase) involved in HIV-1 replication. V. merrillii seed was extracted by maceration in methanol. Bioactive compounds in the extract were identified using ultra-performance liquid chromatography-mass spectrometry (UPLC-MS). The identified compounds were tested for their inhibitory activities against three HIV-1 enzymes using in silico studies. UPLC-MS analysis identified 39 compounds in the methanol extract of V. merrillii seeds. Molecular docking study revealed three compounds in the methanol extract of V. merrillii seeds, including epicatechin-3-O-gallate, 3-O-acetyl-16-α-hydroxydehydrotrametenol acid, and epigallocatechin gallate as potential inhibitors of three HIV-1 enzymes (protease, integrase, and reverse transcriptase) with binding affinities more stable than the control drugs. PASSOnline analysis found that these three potentially bioactive compounds have anti-HIV activity, thereby supporting the docking results. Further research, including in vitro and in vivo studies, are needed to substantiate the potential of this compound as an antiretroviral agent against HIV-1.