Judul: Antidepressant Activity of the Active Compounds  of Ruku-Ruku (Ocimum sanctum L.) with In Silico Inhibition of Serotonin  Transporter
Abstrak: Delesi serotonin menjadi salah satu faktor utama penyebab depresi. Antidepresan berkembang pada target situs penting seperti pompa reuptake yaitu selective serotonin reuptake inhibitors (SSRIs) yang menginhibisi human serotonin transporter (hSERT). SSRI menjadi obat lini utama yang digunakan karena kerjanya selektif pada peningkatan serotonin dan efek yang ringan. Ruku-ruku memiliki metabolit sekunder yang berpotensi antidepresan. Penelitian ini bertujuan mengidentifikasi dan menganalisis interaksi senyawa aktif tanaman ruku-ruku yang dapat menginhibisi hSERT secara in silico. Tahap awal dilakukan skrining 60 ligan uji menggunakan PyRx dan prediksi bioavailabilitas, toksisitas, serta farmakokinetik menggunakan pkCSM dan AdmetSAR 1.0. Penambatan molekuler dilakukan dengan Autodock Vina 1.5.6. Hasil diperoleh 6 ligan yang berpotensi menginhibisi hSERT. Semua ligan tersebut berinteraksi dengan sekurangnya 6 residu penting yang terkonservasi pada tiga subsitus di situs pusat (S1) hSERT. Interaksi polar pada subsitus A, serta interaksi nonpolar pada subsitus B dan C. Ursolic acid memiliki ΔGbind paling negatif yaitu -10,7 kkal/mol dan Ki 0,014 µM, serta dapat menembus sawar-darah otak sehingga dapat bekerja pada target sistem saraf pusat., Serotonin deficiency is one of the major causes of depression. Antidepressant development at specific sites such as reuptake pumps, namely selective serotonin reuptake inhibitors (SSRIs) that act by inhibiting the human serotonin transporter (hSERT). SSRIs are the main drugs that used because their selective and mild effects on elevated serotonin levels. Ruku-ruku are known contain secondary metabolites that have antidepressant properties. The study was conducted with the purpose of identifying and analyzing the interactions of active compounds in the ruku-ruku plant that might inhibit hSERT. First step was screening of 60 ligands using PyRx and prediction of bioavailability, toxicity, and pharmacokinetics the use of pkCSM and AdmetSAR 1.0. Molecular docking was done with Autodock Vina 1.5.6. The results identified 6 ligands that could inhibit hSERT. All these ligands interact at six important conserved residues at three subsites at the central site (S1) of hSERT. Polar interactions at subsite A, as well as nonpolar interactions at subsites B and C. Ursolic acid has the most negative ΔG which is -10,7 kkal/mol and Ki value of 0,014 µM. This ligan can penetrate the blood-brain barrier so that it can work on the target of the central nervous system.
Keyword: antidepressants, depression, hSERT, molecular docking, ruku-ruku

Judul: In Silico Screening of Active Compounds from Fabaceae Family as Antidepressant with Exponential Consensus Ranking
Abstrak: Depresi sudah umum dalam istilah psikologis, namun masih sulit dimengerti dalam istilah molekuler. Secara molekuler, depresi disebabkan dengan meningkatnya aktivitas enzim monoamina oksidase A (MAO-A). Penemuan obat antidepresan baru dapat dicari dengan memanfaatkan tanaman obat yang tersedia secara konvensional. Tanaman keluarga Fabaceae, yaitu secang (Caesalpinia sappan), asam jawa (Tamarindus indica), putri malu (Mimosa pudica), dan kacang gude (Cajanus cajan) telah ditapis menggunakan metode in silico dengan pemeringkatan konsensus eksponensial (ECR). Pemeringkatan menggunakan ECR telah meningkatkan rasionalitas pemeringkatan dengan menggunakan lima piranti lunak dibanding penapisan maya dengan satu piranti lunak. Meskipun tidak semua piranti lunak memiliki performa yang baik untuk semua struktur dan ligan, ECR telah berhasil menyeleksi sembilan senyawa berpotensi aktif dengan nilai IC50 eksperimental yang juga diduga aktif sebagai inhibitor MAO-A. Penyebaran sembilan senyawa paling banyak terdapat pada tanaman asam jawa dan kacang gude. Tanaman tersebut diduga berpotensi sebagai antidepresan didukung dengan data rendemen penelitian sebelumnya., Depression is already common in psychological terms, but it’s kind of poorly understood in molecular terms. On a molecular level, depression is caused by increased activity of the enzyme monoamine oxidase A (MAO-A). Medicinal plants can be utilized as a conventional alternative for developing new antidepressant drugs. Plants that are from Fabaceae family such as secang (Caesalpinia sappan), asam jawa (Tamarindus indica), putri malu (Mimosa pudica), and kacang gude (Cajanus cajan) have been screened using in silico method with exponential consensus ranking. Exponential consensus ranking (ECR) has improved the rationality of the ranking by using five docking software compared to virtual screening using one docking software. Although not all docking software outperform all structures and ligands, ECR has successfully selected nine potentially active compounds with experimental IC50 values that are also suspected to be active as MAO-A inhibitor. The most abundant distribution of these nine compounds are found in asam jawa and kacang gude plants. These plants are suspected to have potential as antidepressants, supported by previous yield data.
Keyword: antidepresan, depresi, ECR, Fabaceae, MAO-A, antidepressant, depression

Judul: Penentuan Nilai Eigen dan Vektor Eigen dari Matriks Tridiagonal 2-Toeplitz dengan Pendekatan Polinomial Chebyshev
Abstrak: The eigenvalues and eigenvectors of a matrix can be determined by finding its characteristic polynomials. The characteristic polynomials of a tridiagonal 2-Toeplitz matrix is shown to be closely connected to polynomials which satisfy the Chebyshev recurrence relationship. If the order of the matrix is odd, then the eigenvalues are found explicitly in terms of the Chebyshev zeros and the eigenvectors are found in terms of the polynomials satisfying the recurrence relationship. For even ordered matrices, the situation is more complicated. The problem in these cases is that although the Chebyshev recurrence formula is still applied, its initial values are not generating Chebyshev polynomials
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