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Molecular Docking on Kokosanolide A and C for Anticancer Activity Against Human Breast Cancer Cell MCF-7 Sri Purwani; Julita Nahar; Zulfikar Zulfikar; Nurlelasari Nurlelasari; Tri Mayanti
Jurnal Kimia Valensi Jurnal Kimia VALENSI Volume 7, No. 1, May 2021
Publisher : Syarif Hidayatullah State Islamic University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15408/jkv.v7i1.20534

Abstract

Kokosanolide A (1), from the seeds of Lansium domesticum Corr. cv Kokossan, has been shown strong cytotoxic activities (IC50 = 8.62 μg/mL) against MCF-7 breast cancer cells. The aim of this work was to study the molecular interactions of kokosanolide A and kokosanolide C with the Estrogen Receptor α (ERα) using computer-aided drug design approaches. Molecular docking using Autodock Vina (open-source software PyRx 0.8) was employed to explore the modes of binding of kokosanolide A (1) and kokosanolide C (2) with ERα. Compounds 1 and 2 showed strong bond-free energy (-8.8 kcal/mol and -8.7 kcal/mol) to ERα. These two compounds have a molecular mechanism to inhibit ERα in breast cancer cells.
Comparison of Numerical Simulation of Epidemiological Model between Euler Method with 4th Order Runge Kutta Method Rizky Ashgi; Mochammad Andhika Aji Pratama; Sri Purwani
International Journal of Global Operations Research Vol 2, No 1 (2021)
Publisher : iora

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47194/ijgor.v2i1.67

Abstract

Coronavirus Disease 2019 has become global pandemic in the world. Since its appearance, many researchers in world try to understand the disease, including mathematics researchers. In mathematics, many approaches are developed to study the disease. One of them is to understand the spreading of the disease by constructing an epidemiology model. In this approach, a system of differential equations is formed to understand the spread of the disease from a population. This is achieved by using the SIR model to solve the system, two numerical methods are used, namely Euler Method and 4th order Runge-Kutta. In this paper, we study the performance and comparison of both methods in solving the model. The result in this paper that in the running process of solving it turns out that using the euler method is faster than using the 4th order Runge-Kutta method and the differences of solutions between the two methods are large.
Comparison of the Trapezoidal Rule and Simpson's Rule in the Riemann-Liouville Fractional Integral Approach Khoirunnisa Rohadatul Aisy Muslihin; Wida Nurul Fauziyah; Sri Purwani
Operations Research: International Conference Series Vol 3, No 4 (2022)
Publisher : Indonesian Operations Research Association (IORA)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47194/orics.v3i4.200

Abstract

Research on calculus has developed a lot, including fractional calculus. Fractional calculus is a branch of mathematics that transforms the orders of derivatives and integrals into rational or even real values. In finding the value of the derivative and the fractional integral, a numerical method is needed to find it, because of the difficulty if it is done using an analytical method. In this paper, we will describe the Riemann-Liouville fractional integral approach using the trapezoidal rule and Simpson's rule. We also provide an overview of the comparisons and errors that result from the two methods. 
Analisis Dinamik Penyebaran Covid-19 dengan Faktor Vaksinasi dengan menggunakan Metode Runge-Kutta Fehlberg Rizky Ashgi; Sri Purwani; Nursanti Anggriani
Jurnal Matematika Integratif Vol 18, No 2: Oktober 2022
Publisher : Department of Matematics, Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (349.962 KB) | DOI: 10.24198/jmi.v18.n2.40224.115-126

Abstract

Penyakit Covid-19 merupakan penyakit yang sedang mewabah pada saat ini, hampir seluruh dunia terkena dan meninggal diakibatkan oleh penyakit Covid-19, berbagai cara dilakukan untuk mencegah penularan salah satunya dengan program vaksinasi. Kemudian ada upaya memperhitungkan kapan akan berakhirnya penyakit Covid-19 di suatu wilayah populasi. Hal ini bersesuain dengan bidang matematika epidemiologi yaitu pemodelan matematika yang dapat memprediksi kapan berkahirnya penyakit Covid-19 di suatu wilayah, model matematika yang telah dibuat sebelumnya yaitu model Susceptible-Infected-Recovered (SIR). Dari model tersebut dapat dikembangkan lagi dengan menambahkan faktor Exposed menjadi model Susceptible-Exposed-Infected-Recovered (SEIR), atau faktor Deceased sehingga menjadi model Susceptible-Infected-Deceased-Recovered (SIDR), atau faktor Vaccinated sehingga menjadi model Susceptible-Vaccinated-Infected-Recovered (SVIR). Pada penelitian ini kasus penyakit Covid-19 di analisis dengan menentukan titik equilibrium dan basic reproduction number (R0) sedangkan analisis numeriknya dengan menggunakan metode Runge-Kutta Fehlberg dalam model penyebaran penyakit Covid-19. Penelitian ini akan mengembangkan model SVIR dengan melibatkan faktor vaksinasi. Penelitian ini bertujuan untuk mengetahui model matematika yaitu model SVIR pada penyebaran penyakit Covid-19, titik equilibrium model SVIR pada penyebaran penyakit Covid-19, basic reproduction number (R0) model SVIR pada penyebaran penyakit Covid-19, solusi numerik metode Runge-Kutta Fehlberg pada penyebaran penyakit Covid-19, dan efektivitas model SVIR pada penyebaran penyakit Covid-19. Kata kunci:  Covid-19, Metode Runge-Kutta Fehlberg, model SVIR.