Please use this identifier to cite or link to this item: http://repository.ipb.ac.id/handle/123456789/123725
Title: Studi Dinamika Molekul Lakase B. subtilis Terhadap Komponen Limbah POME dengan Variasi Suhu dan Penyesuaian Mutasi Sisi Aktif
Other Titles: Molecular Dynamics Study B. subtilis Laccase Against POME Waste Components with Temperature Variation and Active Side Mutation Adjustment
Authors: Ambarsari, Laksmi
Setyawati, Inda
Wahyudi, Setyanto Tri
Zahra, Hafizh
Issue Date: 11-Aug-2023
Publisher: IPB University
Abstract: Salah satu jenis limbah cair yang dihasilkan dari pengolahan Crude Palm Oil (CPO) adalah Palm Oil Mill Effluent (POME). Limbah ini merupakan tantangan besar bagi lingkungan karena warnanya yang gelap dan kaya akan senyawa organik. Bakteri yang paling umum dalam bioremediasi POME adalah spesies Bacillus subtilis terutama karena lakase termostabilnya. Berbagai peneliti melakukan beberapa mutasi untuk meningkatkan kemampuan pendegradasi zat warna, namun sebagian besar menghasilkan mutasi tidak stabil. Penelitian ini bertujuan untuk menghasilkan rekomendasi konstruksi mutan, dilanjutkan dengan penambatan molekuler dan simulasi dinamika (MD) komponen limbah POME. Konstruksi mutan dan evaluasi struktur dilakukan dalam server PoPMuSiC-2.1, sedangkan penambatan molekuler dan MD dalam YASARA Structure. Hasil minimisasi menunjukkan perbedaan energi dari mutan T480V yang dioptimalkan dari 73,98 menjadi -95,04 kkal/mol. Kemudian simulasi MD menunjukkan bahwa peningkatan suhu (80 °C) meningkatkan energi pengikatan melanoidin.
One type of liquid waste produced by Crude Palm Oil (CPO) processing is Palm Oil Mill Effluent (POME). This waste is a big challenge for the environment because of its dark brown color and rich in organic compounds. Predominantly common bacteria in POME bioremediation are Bacillus subtilis species, notably because of its thermostable laccase. Various researchers performed several mutations to enhance its dye degrading capability. However, most resulting in unstable mutations. This study aimed to produce recommendations for mutant construction, continued by molecular docking and dynamic (MD) of POME components. Mutant construction and structure evaluation utilized in the PoPMuSiC-2.1 server while molecular docking and MD by YASARA Structure. After minimization, the results showed the energy difference from the optimized T480V mutant from 73.98 to -95.04 kcal/mol. The different temperature of MD reveals that increased temperature (80 °C) improve melanoidin binding energy.
URI: http://repository.ipb.ac.id/handle/123456789/123725
Appears in Collections:MT - Mathematics and Natural Science

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