Judul: Anti-inflammatory Activity of Active Compounds in Iler Leaves (Plectranthus scutellarioides) through In Silico Inhibition of Cyclooxygenase-2
Abstrak: Osteoarthritis (OA) adalah penyakit peradangan pada sendi yang diakibatkan kerusakan pada bantalan sendi yang diiringi dengan berkurangnya cairan sinovial. Penyakit ini termasuk penyakit degeneratif yang sering terjadi pada hewan dan mengiringi proses penuaan. Pengobatan diutamakan untuk mengurangi rasa nyeri dan tingkat peradangan. Oleh karena itu, diperlukan obat herbal sebagai alternatif untuk penanganan penyakit tersebut. Iler (Plectranthus scutellarioides) memiliki senyawa aktif anti-inflamasi. Penelitian ini bertujuan menguji senyawa aktif daun Iler yang berpotensi sebagai anti-inflamasi melalui inhibisi siklooksigenase-2 secara in silico (PDB ID 3LN1). Penelitian ini menggunakan software AutoDock Vina, dengan parameter sebagai berikut: energi bebas, konstanta inhibisi, dan nilai binding site similarity (BSS). Hasil dari penelitian menunjukkan hasil antosianin dan asam rosmarinat merupakan ligan uji yang memiliki nilai energi bebas yang terbaik, yaitu -9,6 kkal/mol dan -9,3 kkal/mol. Berdasarkan parameter tersebut dapat disimpulkan secara in silico senyawa aktif daun Iler berpotensi efektif untuk obat anti-inflamasi., Osteoarthritis (OA) is an inflammatory disease of the joints caused by damage to the joint cushions accompanied by reduced synovial fluid. This disease is a degenerative disease that often occurs in animals and accompanies the aging process. Treatment is prioritized to reduce pain and inflammation levels. Therefore, herbal medicine is needed as an alternative for treating this disease. Iler (Plectranthus scutellarioides) has an active anti-inflammatory compound. This study aims to examine the active compounds of Iler leaves which have potential as anti-inflammatory through in silico inhibition of cyclooxygenase-2 (PDB ID 3LN1). This study used AutoDock Vina software, with the following parameters: free energy, inhibition constants, and binding site similarity (BSS) values. The results of the study showed that anthocyanin and rosmarinic acid were the test ligands that had the best free energy values, namely -9,6 kcal/mol and -9,3 kcal/mol. Based on these parameters, it can be concluded that in silico the active compounds of Iler leaves are potentially effective for anti-inflammatory drugs.
Keyword: anti-inflamasi, Iler, penambatan molekuler, siklooksigenase-2

Judul: Prediction of Anti-inflammatory Compounds in Okra Pods (Abelmoschus esculentus L.) in Inhibition of Cyclooxygenase-2
Abstrak: Siklooksigenase-2 (COX-2) mengkatalisis pengubahan asam arakidonat menjadi senyawa mediator inflamasi, seperti prostaglandin (PG). Buah okra memiliki aktivitas antiinflamasi berdasarkan studi in vitro dan in vivo, namun belum diketahui senyawanya yang dapat menginhibisi COX-2. Penelitian ini bertujuan memprediksi aktivitas antiinflamasi senyawa aktif buah okra yang dapat menghambat COX-2 berdasarkan interaksinya dengan residu asam amino sisi aktif, katalitik dan selektif. Perangkat lunak YASARA Structure digunakan untuk penambatan molekuler, sementara Discovery Studio Visualizer dan Pymol digunakan untuk analisis interaksi ligan-reseptor. Penambatan dilakukan pada ukuran gridbox 2,0 Å. Penapisan virtual menghasilkan 16 senyawa aktif buah okra hasil studi pustaka menghambat COX-2 dengan nilai energi bebas pengikatan (ΔG) di atas -6,0 kkal/mol. Hasil ini masih lebih rendah dari asam mefenamat sebagai ligan eksperimental. Kuersetin dan α-cubebene paling potensial menghambat COX-2, dengan nilai ΔG -7,887 dan -7,502 kkal/mol serta Ki 1,63 dan 3,13 μM, namun kelimpahannya rendah di buah okra. Senyawa yang paling melimpah adalah kuersetin-3-O-glukosida (-6,668 kkal/mol), berinteraksi selektif dengan His90, Val523 dan Arg513, sama halnya dengan celecoxib sebagai ligan pembanding., Cyclooxygenase-2 (COX-2) catalyzes the conversion of arachidonic acid into inflammatory mediator compounds, such as prostaglandins (PG). Okra pods has anti-inflammatory activity based on in vitro and in vivo studies, but the compounds that can inhibit COX-2 is not yet known. This study aimed to predict the anti-inflammatory activity of the active compounds of okra pods as COX-2 inhibitor based on their interactions with amino acid residues on the active, catalytic and selective sites. YASARA Structure software was used for molecular docking, while Discovery Studio Visualizer and Pymol were used for ligand-receptor interaction analysis. Molecular docking is done on a gridbox size of 2.0 Å. Virtual screening resulted in 16 active compounds of okra pods from literature study inhibiting COX-2 with binding free energy (ΔG) values above -6.0 kcal/mol. These values is still lower than mefenamic acid as an experimental ligand. Quercetin and α-cubebene were the most potent to inhibit COX-2, with ΔG -7.887 and -7.502 kcal/mol and Ki 1.63 and 3.13 μM, however their abundance was low in okra. The most abundant compound was quercetin-3-O-glucoside (-6,668 kcal/mol) and selectively bind to His90, Val523 and Arg513, similar to celecoxib as a reference ligand.
Keyword: anti-inflammation, COX-2, molecular docking, okra pods, selective

Judul: Construction of Strongly Optimal Binary Linear Code with Minimum Distance 9 and 11
Abstrak: A binary linear code of length n over q F is a subspace of n q F . A code has three parameters that attached to it, namely length, dimension, and minimum distance. A code with length n, dimension k and minimum distance d is often called [n, k, d ]-code. Usually, when two parameters are given, then we want to find a code that has the best value for the last parameter. Based on Gilbert- Varshamov bound, if a [n, k, d ]-code exists and can not be expanded, we call it a strongly optimal code. In this paper, we construct strongly optimal code with minimum distance 9 and 11. In constructing the code, we created a theorem and algorithm based on Gilbert-Varshamov bound before we implement the algorithm to MAPLE programming language. Because of computational limitations, the program can only construct up to k = 10 for d = 9 and k = 12 for d = 11.
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