EVALUASI KESTABILAN STRUKTURAL DESAIN VAKSIN HPV (Human papillomavirus) BERBASIS CHIMERIC VLP 18/45/59 MELALUI SIMULASI DINAMIKA MOLEKULER

SAYYIDATUL LATIFAH, - (2025) EVALUASI KESTABILAN STRUKTURAL DESAIN VAKSIN HPV (Human papillomavirus) BERBASIS CHIMERIC VLP 18/45/59 MELALUI SIMULASI DINAMIKA MOLEKULER. Skripsi thesis, Sekolah Tinggi Farmasi Indonesia.

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Abstract

Human papillomavirus (HPV) merupakan penyebab utama kanker serviks dengan prevalensi tertinggi kedua di Indonesia. Upaya pencegahan melalui vaksinasi terbukti efektif, namun cakupan proteksi vaksin komersial masih terbatas pada tipe virus tertentu. Penelitian ini bertujuan untuk mengevaluasi kestabilan struktur desain vaksin chimeric HPV 18/45/59 berbasis Virus-Like Particle (VLP) menggunakan pendekatan in silico melalui simulasi dinamika molekuler (MD). Desain vaksin dibuat menggunakan kerangka HPV 18 yang dimodifikasi pada loop BC dengan HPV 45 dan loop FG dengan HPV 59, kemudian dibandingkan dengan tiga kontrol (HPV 18, HPV 45, dan HPV 59). Simulasi dilakukan selama 30 ns menggunakan perangkat lunak AMBER, dengan parameter analisis mencakup RMSD, RMSF, dan energi bebas ikatan (MMGBSA). Hasil menunjukkan desain vaksin memiliki nilai RMSD global 4–5 Å, sedikit lebih tinggi dari kontrol (2–3 Å), yang mengindikasikan perubahan akibat modifikasi loop tanpa mengganggu stabilitas inti protein. Analisis RMSF menunjukkan peningkatan fleksibilitas pada loop, yang berpotensi meningkatkan pengenalan oleh sistem imun. Selain itu, nilai ΔGTOTAL yang sangat negatif mengindikasikan interaksi kompleks yang kuat dan stabil. Secara keseluruhan, hasil ini menunjukkan bahwa desain vaksin chimeric HPV 18/45/59 memiliki kestabilan struktural yang baik, fleksibilitas yang menguntungkan, serta interaksi molekuler yang stabil, sehingga berpotensi dikembangkan sebagai kandidat vaksin profilaksis terhadap infeksi HPV risiko tinggi. ------- Human papillomavirus (HPV) is the primary cause of cervical cancer and ranks as the second most prevalent cancer in Indonesia. Preventive efforts through vaccination have proven effective; however, the protective coverage of current commercial vaccines remains limited to certain viral types. This study aims to evaluate the structural stability of a chimeric HPV 18/45/59 vaccine design based on Virus-Like Particles (VLPs) using an in silico approach through molecular dynamics (MD) simulations. The vaccine design was constructed using the HPV 18 framework, modified at the BC loop with HPV 45 and the FG loop with HPV 59, and subsequently compared with three controls (HPV 18, HPV 45, and HPV 59). Simulations were performed for 30 ns using the AMBER software, with analytical parameters including RMSD, RMSF, and binding free energy (MMGBSA). The results showed that the chimeric vaccine exhibited a global RMSD value of 4–5 Å, slightly higher than the controls (2–3 Å), indicating structural changes due to loop modification without disrupting the protein’s core stability. RMSF analysis revealed increased flexibility in the loop regions, which may enhance immune system recognition. Moreover, the highly negative ΔG_TOTAL value indicated strong and stable molecular interactions. Overall, these findings suggest that the chimeric HPV 18/45/59 vaccine design demonstrates good structural stability, favorable flexibility, and stable molecular interactions, making it a promising candidate for the development of a prophylactic vaccine against high-risk HPV infections.

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	Human papillomavirus, vaksin chimeric, VLP, dinamika molekuler, RMSD, RMSF. ------ Human papillomavirus, chimeric vaccine, VLP, molecular dynamics, RMSD, RMSF
Subjects:	Q Science > Q Science (General) R Medicine > R Medicine (General)
Divisions:	Program Studi S1 Farmasi
Depositing User:	pustakawan - -
Date Deposited:	19 Nov 2025 08:10
Last Modified:	19 Nov 2025 08:10
URI:	http://repository.stfi.ac.id/id/eprint/3509

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