Berkala Ilmiah Mahasiswa Farmasi
Vol 6 No 1 (2019): Berkala Ilmiah Mahasiswa Farmasi Indonesia (BIMFI)

Prediksi Efektivitas Efavirenz terhadap Berbagai Human-Infecting Retrovirus secara In-Silico Menggunakan Tools Bioinformatika dan Kimia Medisinal

Billgerd Tjengal (Unknown)
Ade Fany Safitri (Unknown)
Julio Jonathan Gilbert Alexis (Unknown)
Nadira Rahmatunisa (Unknown)
Sigit Nur Pratama (Unknown)

Article Info

Publish Date
30 Jun 2019


Introduction: One strategy for HIV-1 (retroviridae) infection therapy is using NNRTI (non-nucleoside reverse transcriptase inhibitor) to suppress viral replication by binding to the reverse transcriptase (RT-ase) enzyme. One drug in this class is Efavirenz (EFV). Based on the good effectivity of EFV in HIV-1, it is suspected that EFV also has activity against HIV-2 and HTLV. This study aims to determine the activity of EFV in the human-infecting retroviruses such as HIV-2, HTLV-1, and HTLV-2. Methods: This study uses Bioinformatics and Medicinal Chemistry tools such as, phylogenetic tree construction, pairwise sequence alignment, looking for RT-ase motifs and domains, predicting secondary structures, modelling 3D RT-ase structures, docking, and predicting hydrophobicity with Kyte-Doolittle Hydropathy Plot. Result: There is a common ancestor of the four viruses according to the constructed phylogenetic tree. There are also RT_like Superfamily domains at HIV-2 and HTLV-1. The similarity and identity value, and results of HTLV-1 and HTLV-2 RT-ase structural modeling do not give good results. Binding energy value of EFV to HIV-2 RT-ase is higher than HIV-1 RT-ase. Conclusion: EFV is not effective against HIV-2, HTLV-1 and HTLV-2

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Journal Info





Biochemistry, Genetics & Molecular Biology Chemistry Health Professions Immunology & microbiology Medicine & Pharmacology


BIMFI is a peer-reviewed and open access journal that prioritize the publication manuscript of pharmaceutical and health cluster students. This journal publishes editorial, research article, reviews, evidence-based case report, and also interesting case reports/case study. BIMFI receives manuscripts ...