Judul: Molecular Docking and Virtual Screening of Natural Ingredients as Potential Anti-Glioblastoma Drugs
Abstrak: Glioblastoma multiforme (GBM) adalah tumor otak ganas primer yang paling umum dan agresif. Faktor pertumbuhan fibroblast growth factor 2 (FGF2) sangat penting dalam perkembangan saraf normal dan mendorong pertumbuhan glioma dan vaskularisasi. Penelitian ini bertujuan untuk mendapatkan binding site antara protein FGF2 dengan FGFR 1-4 serta memperoleh senyawa aktif pada tanaman herbal Indonesia yang berpotensi sebagai inhibitor FGF2 sehingga berpotensi sebagai obat kanker otak glioblastoma multiforme. Penelitian ini meliputi screening virtual dan docking molekuler menggunakan Vina pada 1496 senyawa herbal Indonesia, docking menggunakan Autodock 4.2.6, dan analisis hasil docking Autodock 4.2.6 menggunakan Ligplot+. Asam amino yang diperoleh dari protein FGF2 berikatan dengan baik pada setiap reseptor FGFR 1-4. Asam amino FGF2 yang berikatan dengan FGFR1 adalah Arg97, Arg109, Lys110, Thr112, Trp114, Gln134. Pada FGFR2 mereka adalah Tyr24, Phe31, Lys46, Ser100, Gly133, Leu140. Pada FGFR3 yaitu Pro14, Tyr24, Glu59, Gly61 , Leu98, Asr102. Di FGFR4 mereka adalah Lys26, Phe31, Arg42, Glu45, Pro49, Arg120, Lys135, Met142. Senyawa piranoamentoflavon yang terdapat pada tanaman nyamplung (Calophyllum Inophyllum), 5,3',5'-Trihydroxy- 6,7,4'-trimethoxyflavone pada tanaman kemuning (Murraya Paniculata), dan Sotetsuflavon pada obat penawar jambe (Cycas Revoluta) memiliki potensi yang baik sebagai inhibitor FGF2 sebagai obat anti kanker Glioblastoma.
Keyword: binding site, fibroblast growth factor 2, molecular docking, virtual screening

Judul: Molecular Design of Cervical Cancer Drug Candidate from Indonesian Herbal Plants: Computational Exploration
Abstrak: Kanker serviks adalah penyakit yang menyebabkan sekitar 300.000 kematian di seluruh dunia, sebagian besar disebabkan oleh human papillomavirus (HPV), yang ditularkan melalui hubungan seksual. Pengobatan saat ini untuk pra-kanker serviks adalah ablasi dan eksisi, keduanya merupakan metode bedah dengan risiko tinggi. Oleh karena itu, diperlukan alternatif obat untuk menghambat angiogenesis. Penelitian ini menyeleksi kandidat obat antikanker serviks dengan mekanisme penghambatan angiogenesis secara in silico melalui virtual screening dari 100 senyawa dari tanaman herbal Indonesia yang diprediksi memiliki aktivitas inhibisi angiogenesis. Ligan uji dengan nilai afinitas tertinggi diseleksi untuk penelitian lebih lanjut tentang bioavailabilitas dan toksisitasnya. Tiga senyawa terpilih adalah isogemichalcone C (-12,53 kcal/mol), jasmolactone D (-12,37 kcal/mol), dan jasmolactone C (-12,07 kcal/mol), yang memiliki nilai afinitas lebih tinggi dibandingkan tivozanib (-12,05 kcal/mol), obat paten untuk inhibisi angiogenesis kanker.
Keyword: penapisan virtual, penghambat tirosin kinase, angiogenesis, kanker serviks

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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