Judul: Potential of Limonoid in the Rutaceae Family as Receptor Obstacle for Breast Cancer using In Silico Analysis
Abstrak: Kanker payudara menjadi kasus kanker terbanyak di Indonesia dengan penderita terbanyak adalah wanita. Obat kanker payudara telah ditemukan, salah satunya tamoksifen, tetapi menimbulkan efek samping. Senyawa potensial sebagai obat antikanker payudara perlu ditemukan salah satunya melalui cara penambatan molekuler karena biaya penelitian yang murah dan waktu pengerjaan yang singkat. Ligan alami pada reseptor yang terekspresi dalam kanker payudara memiliki kemiripan bentuk dengan senyawa limonoid. Senyawa tersebut banyak ditemukan dalam famili Rutaceae. Penelitian ini bertujuan memprediksi senyawa limonoid dari famili Rutaceae yang berpotensi sebagai obat antikanker payudara melalui teknik penambatan molekuler. Hasil penambatan molekuler serta prediksi toksisitas dan farmakokinetik menunjukkan bahwa terdapat empat senyawa yang berpotensi sebagai obat antikanker payudara dengan ekspresi dominan reseptor progesteron, yaitu obakunon, 7α-obakunol, 7α-obakunil asetat, dan epoksiazadiradion. Keempat senyawa tersebut berpotensi dijadikan obat oral dan tidak toksik., Breast cancer has become the most cancer case in Indonesia, which is women are the main patient of the case. A cure for breast cancer has been found, one of them is tamoxifen, but it has side effects. Potential compounds as anticancer drugs need to be found, one of which is through molecular docking because the research costs are cheap and the processing time is short. Natural ligands on receptors expressed in breast cancer have a similar shape to limonoid compounds. Limonoid compounds are commonly found in the Rutaceae family. The goal of this study is to predict limonoid compounds from the family Rutaceae that have the potential as anticancer drugs for breast cancer through molecular docking techniques. The results of molecular docking, toxicity prediction, and pharmacokinetic prediction have shown that four compounds have the potential as breast anti-cancer drugs with a dominant expression of progesterone receptors, there are obacunone, 7α-obacunol, 7α-obacunyl acetate, and epoxyazadiradione. The four compounds can be used as oral drugs and are not toxic.
Keyword: breast cancer, in silico, limonoid, oral drug, Rutaceae

Judul: Activity of breast anticancer of active compound from Spatholobus suberectus stem’s by in silico
Abstrak: Sekitar lebih 70% kasus kanker payudara adalah tipe positif hormon reseptor. Kasus kanker payudara tipe ini lebih banyak terjadi pada wanita post menopaus. Pengobatan yang efektif kasus ini adalah pemberian inhibitor enzim aromatase. Senyawa isoflavonoid batang Spatholobus suberectus telah teruji secara in vitro memiliki aktivitas sitotoksik terhadap sel kanker payudara MCF-7 yang banyak mengekspresikan reseptor estrogen dan enzim aromatase. Perlu dilakukan pencarian senyawa lain batang Spatholobus suberectus yang berpotensi memiliki aktivitas antikanker payudara. Penelitian ini bertujuan memprediksi potensi senyawa-aktif batang Spatholobus suberectus sebagai antikanker payudara melalui mekanisme penghambatan enzim aromatase secara in silico dengan metode penambatan molekular. Simulasi penambatan molekuler dilakukan melalui parameter energi ikat (ΔG), konstanta inhibisi (Ki), jenis interaksi dan binding site similarity (BSS). Senyawa aktif yang diprediksi memiliki potensi adalah prestegane B, 2R,3R-3,7-dihidroksiflavanon, dihidrorobinetin, asam protokatekuat etil ester, liquiritigenin, naringenin, 7,4’-dihidroksi-8-metoksi-isoflavone, asam protokatekuat, glisirosida, dulcisflavan, butein, hesperetin, plathymenin, isoliquiritigenin, dan medioresinol., Approximately over 70% of breast cancer cases are positive types of hormone receptors. Cases of this type of breast cancer are more common in post menopausal woman. An effective treatment of this case is the administration of aromatase enzyme inhibitors. The stem isoflavonoid compound Spatholobus suberectus has been tested in vitro has cytotoxic activity against MCF-7 breast cancer cells that expressed a lot of estrogen receptors and aromatase enzymes. It is necessary to search for other compounds of Spatholobus suberectus stem that have the potential to have anticancer activity of the breast. This study aimed to predict the potential of compound-active stem Spatholobus suberectus as an anticancer breast through the mechanism of inhibition of aromatase enzymes in silico by molecular docking method. Molecular tethering simulation is done through binding energy parameters (ΔG), inhibition constants (Ki), types of interaction and binding site similarity (BSS). Active compounds that was predicted to have potential are prestegane B, 2R,3R-3,7-dihydroxyflavanon, dihydrorobinetin, protocatechuic acid ethyl ester, liquiritigenin, naringenin, 7,4’-dihidroksi-8-metoksi-isoflavone, protocatechuic acid, glyciroside, dulcisflavan, butein, hesperetin, plathymenin, isoliquiritigenin, and medioresinol.
Keyword: molecular docking, inhibitor, aromatase

Judul: Thermal Characteristics and Dynamics of Tropical Cyclone over Western North Pacific Ocean: A Case Study of Typhoon Songda (Chedeng) 2011
Abstrak: The frequent occasion of Tropical Cyclone (TC) over Western North Pacific (WNP) Ocean lies from 10˚N to 26˚N and 121˚E to 170˚E. Sources of TC development come from warm ocean temperature where latent heat is released during condensation processes and subsequently concentrated in the boundary layer. Relative humidity at 850-700 hPa is responsible to produce the most intense storm. Meanwhile, weak vertical wind shear between 850-200 hPa is one of the dynamical factors that lead to the development of TC. Pressure level of 850-200 hPa is chosen to minimize the thermodynamic effect in the lower troposphere. Typhoon Songda (Chedeng in the Philippines) or TSC lasted from May 18th to 30th, 2011 and strengthened into powerful Super Typhoon stage between May 24th and 27th. Long curving track and the exhibition of all sequences of TC life cycle, TSC is then considered as an ideal case of TC. The objective of the study with case of TSC is to investigate the role of thermal characteristics and dynamics on TC intensity. The research is carried out by using Advanced Research of Weather Research and Forecasting model (WRF ARW model) version 3.3. Two domains are employed in the model. The first domain situate from 02˚N to 40˚N and 118˚E to 149˚E and cover spatial resolution () of 33.1 km. The second domain situate from 09˚N to 27˚N and 119˚E to 132˚E with of 11 km. Timestep of the model () is 120 seconds. The model is supported by the following physical parameterization, i.e., Yonsei University Scheme (YSU) in the boundary layer, Kain-Fritsch scheme (KF) in the cumulus, and WRF Single-Moment 3-class scheme in the microphysics. Initial meteorological condition prior to the formation of the cyclone is generated using WRF ARW standard-release model. Sensitivity of the model output is obtained from a selected single-parameter change scenarios, namely, 10 % to 20 % decrease and increase of wind shear initial data at 850-200 hPa, and by 10 % to 20 % decrease of relative humidity initial data at 850-700 hPa. The result showed that the negative correlations between wind shear and intensity are found in wind shear scenarios. Wind shears of 10 ms-1 which lead to strengthening of the wind intensity in the early period of Typhoon development are found in wind shear scenarios. The effect of wind shear changes on wind intensity is statistically significant in the 20 % wind shear scenarios. During mature stage, weak wind intensity occurred when wind shear increase as given in the WRF standard-release and the 20 % decreasing scenario. Different situation is found in the 20 % increasing scenario where wind shear tend to weak and lead to strong wind intensity at this stage. Meanwhile, the reduction of moisture supply at 850-700 hPa resulting from 20 % decreasing relative humidity play a major role in the weakening of wind intensity and reduces mechanical energy of the cycle process as much as 300 J kg-1.
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