Judul: Analisis Potensi Senyawa Bioaktif Ekstrak Etanol Biji Koro Benguk (Mucuna pruriens) sebagai Inhibitor Enzim Main Protease SARS-CoV-2 In Silico
Abstrak: Coronavirus disease 2019 (Covid-19) adalah penyakit infeksius yang disebabkan virus SARS-CoV-2. Salah satu protein penting dalam replikasi dan transkripsi virus di dalam sel adalah enzim main protease (Mpro). Penelitian bertujuan mengidentifikasi senyawa bioaktif dalam ekstrak etanol koro benguk (Mucuna pruriens) dan menentukan senyawa yang berpotensi menginhibisi aktivitas enzim protease Mpro virus SARS-CoV-2 secara in silico. Metode LC-MS QTOF digunakan untuk identifikasi senyawa aktif, dilanjutkan dengan penapisan virtual dan penambatan molekuler dengan aplikasi YASARA Structure. Hasil penelitian menunjukkan dari 16 senyawa aktif dalam ekstrak etanol 96% koro benguk, terdapat 4 senyawa aktif yang berpotensi sebagai inhibitor enzim protease Mpro SARS-CoV-2 berdasarkan analisis energi bebas ikatan (ΔG), konstanta disosiasi (Kd), interaksi ligan-reseptor, uji bioavailabilitas dan toksisitas, yakni kaempferol, 1,2,3-trimetoksi-10-metilakridon, 6-metoksiisodiktamnin, dan 5,7- dihidroksikromon. Kaempferol merupakan senyawa terbaik yang berpotensi sebagai inhibitor enzim protease Mpro berdasarkan seluruh parameter yang dianalisis.
Keyword: Inhibitor protease Mpro, Mucuna pruriens, Penambatan molekuler

Judul: Analisis In Silico Senyawa Aktif Tumbuhan Kayu Manis (Cinnamomum burmannii) sebagai Inhibitor 3C-Like Protease (3CLpro) SARS-CoV-2 di Indonesia
Abstrak: Coronavirus disease 2019 (COVID-19) merupakan penyakit yang disebabkan virus SARS-CoV-2. Senyawa aktivitas antivirus berpotensi dapat menghambat enzim 3CLpro yang berperan dalam proses replikasi SARS-CoV-2. Kayu manis memiliki senyawa aktif antivirus, namun potensinya sebagai inhibitor 3CLpro belum diketahui. Penelitian ini bertujuan menganalisis potensi senyawa aktif kayu manis sebagai inhibitor 3CLpro (EPI_ISL_576383) secara in silico. Penambatan molekuler dengan autodock vina dilakukan terhadap 40 ligan uji menunjukkan sembilan ligan uji memiliki afinitas pengikatan lebih baik dibandingkan dengan JRY1 berdasarkan energi bebas Gibbs, konstanta inhibisi, dan interaksi terhadap residu penting, yaitu benzyl benzoate, caffeic acid, 3- phenylacetate, bornyl acetate, hydrocinnamic acid, eugenol, linalool, α-terpineol, dan 3-phenyl-2-propen-1-ol. Benzyl benzoate merupakan senyawa aktif dengan energi bebas Gibbs dan konstanta inhibisi terendah (-4,5 kkal/mol dan 0,498 µM) yang berinteraksi dengan 10 residu penting di sisi aktif 3CLpro. Linalool dan eugenol merupakan senyawa penciri kayu manis yang memiliki energi bebas Gibbs dan kontanta inhibisi (-3,6 kkal/mol dan 2,281 µM) berinteraksi dengan residu sisi aktif 3CLpro., Coronavirus disease 2019 (COVID-19) is a disease caused by the SARSCoV-2 virus. Compounds with antiviral activity have the potential to inhibit the 3CLpro enzyme which plays a role in the SARS-CoV-2 replication process. Cinnamomun burmannii has antiviral active compounds but its potential as 3CLpro inhibitor is still unknown. This study aimed to analyze the potency of the active compound of cinnamon as an inhibitor 3CLpro (EPI_ISL_576383) by in silico method. Molecular docking with Autodock vina performed on 40 test ligands showed that nine test ligands had better binding affinity than JRY1 based on Gibbs free energy, inhibition constants, and interactions with important residues, namely benzyl benzoate, caffeic acid, 3-phenylacetate, bornyl acetate, hydrocinnamic acid, eugenol, linalool, α-terpineol, and 3-phenyl-2-propen-1-ol. Benzyl benzoate is the active compound with Gibbs free energy and lowest inhibition constant (-4.5 kcal/mol and 0.498 µM) which interacts with 10 important residues on the active site of 3CLpro. Linalool and eugenol are characteristic compounds of Cinnamomum burmannii which have Gibbs free energy and inhibition constants (-3.6 kcal/mol and 2.281 µM) that interact with the residue of active site 3CLpro
Keyword: 3CLpro, Cinnamomum burmannii, In silico, SARS-CoV-2

Judul: Hamiltonian formulation for linear waves motion in two layers fluid
Abstrak: The surface wave could be considered as a wave that separates two fluids, namely water and air. Based on this assumption, it is introduced the interfacial wave, a wave between two layers of fluid with different density. The formulation of interfacial waves motion begins with deriving the base equation of irrotational ideal fluid. Furthermore, according to irrotational fluid assumption, the base equation can be stated in velocity potential. In this derivation, the fluids domain is assumed to be restricted by rigid lid boundary conditions, both at the upper and lower limit. Therefore, the interfacial waves motion can be explained in a hamiltonian formulation. In the hamiltonian formulation, total energy is defined as the sum of kinetic and potential energy. The hamiltonian system is obtained from reduction of kinetic energy by using the Dirichlet Neumann Operator. The resulted kinetic energy equation is nonlinear. Therefore, this form is linearized by first part of the Taylor expansion. This linearization gives a dispersion relation of linear wave. Based on this dispersion relation, the phase speed of the linear wave depends on the density ratio of the two layers fluid.
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