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Introduction: One strategy for molecular cancer therapy is to know the key mechanism of cytotoxic compounds that can kill cancer cells. Ramie (Boehmeria nivea L. Gaud.) leaves contain active compounds that have important effects on cancer chemoprevention. Objective: To obtain the active fraction of a Ramie leaf extract in inhibiting the proliferation of MCF-7 breast cancer cell lines and to determine the mechanism of apoptosis induction using MCF-7 and Saccharomyces cerevisiae strains 1140, 1353, and 1138. Method: Fractions were prepared using n-hexane, dichloromethane (CH2Cl2), ethyl acetate, and n-butanol as solvents. All fractions were tested qualitatively through phytochemical. The MTT-based cytotoxicity assay used MCF-7 (in vitro) to obtain the IC50 value, whereas the model system that targets the enzymatic (topoisomerase) used a yeast-based bioassay to obtain the IC12 value. Apoptotic induction of the active fraction in MCF-7 was performed using flow cytometry and qPCR (2-ΔΔCt method). Results: The phytochemical analysis indicated that the extract fraction consisted of alkaloids and steroids. The smallest IC50 value was obtained from the CH2Cl2 fraction as 3.79 g/mL, potentially act as an anticancer. A higher percentage of apoptosis than that of necrotizing cells and live cells was observed through flow cytometry. The CH2Cl2 fraction with an IC12 value < 8000 in strains 1140, 1353, and 1138 consistently showed the mechanism of apoptosis induction as topoisomerase I and II inhibitors. Also, another mechanism could be through the intrinsic pathway, indicated by the highest expression level in p53. Conclusions: The CH2Cl2 fraction of Ramie leaves can inhibits the proliferation of MCF-7 cells in the active and strong categories. The CH2Cl2 fraction induces apoptosis by increasing p53 gene expression and inhibiting topoisomerase I and II. Thus, it showed potential as an anticancer drug candidate.

Background: Currently, infectious diseases caused by pathogenic and resistant bacteria are more challenging for anti-bacterial drug discovery. The discovery of new anti-bacterial agents developed in many mechanisms includes disruption of the bacterial cell wall formations. The MurA is a key enzyme contributing to the first step of bacterial peptidoglycan biosynthesis and is, therefore, proposed as an effective bactericidal target. Objective: The purpose of this research is to identify anti-bacterial compounds from U. gambir Roxb and to predict the potential inhibitory activities against murA enzyme by in silico study. Materials and Methods: Investigation and discovery of new inhibitors of MurA enzyme were conducted on the medicinal plant of Gambir (Uncaria gambir Roxb) and those that reportedly contained anti-bacterial agents. The anti-bacterial compounds were isolated by combinations of chromatography methods guided by anti-bacterial activity against bacteria of E. faecalis, S. mutans, and S. sanguinis. The structures of active compounds were characterized by spectroscopic methods, and the anti-bacterial activity was evaluated by the microdilution method (in vitro) combined with molecular docking of the MurA enzyme (in silico). Results: The anti-bacterial flavonoids of catechin were isolated from U. gambir Roxb with MIC values of 6250 and 12500 ppm, respectively, against S. sanguinis and E. faecalis. The in silico study showed that catechin has a binding affinity of -8.5 Kcal/mol to MurA which is higher than fosfomycin as a positive control. Conclusions: The catechin is predicted to have potential as a new natural inhibitor of the MurA enzyme to inhibit bacterial cell wall biosynthesis.

Kanker payudara merupakan penyebab kedua terbanyak kematian pada wanita akibat kanker setelah kanker paru-paru di seluruh dunia. Steroid merupakan kelompok senyawa aktif yang diantaranya berhasil diisolasi dari genus Chisocheton yang dilaporkan memiliki aktivitas melawan sel kanker payudara MCF-7. Tujuan penelitian ini adalah untuk mengetahui interaksi senyawa steroid terhadap estrogen alfa (ER-α) melalui metode in silico, yaitu penambatan molekul. Pemodelan struktur tiga dimensi (3D) senyawa steroid dilakukan dengan memperhatikan keadaan terprotonasinya pada pH 7,4. Metode in silico divalidasi melalui penambatan ulang struktur kristal ER-α, hingga diperoleh nilai RMSD < 2 Å, dengan program AutoDock 4.2.6. Dengan program yang sama, senyawa-senyawa steroid ditapis dengan metode penambatan molekul. Hasil penapisan menghasilkan nilai energi bebas dari kedua senyawa steroid yaitu -10,08 kkal/mol (7α-hidroksi-β-sitosterol) dan -10,75 kkal/mol (stigmast-5-en-3β-ol), yang nilainya lebih baik dari estradiol (-9,62 kkal/mol), sebagai ligan alami ER-α. Kedua senyawa ini berpotensi untuk menginhibisi estrogen alfa, dimana senyawa stigmast-5-en-3β-ol memiliki potensi yang lebih besar karena nilai energi bebasnya lebih rendah. Hal ini menandakan bahwa modifikasi struktur senyawa mampu mengubah nilai energi ikatan dan interaksi antara ligan dan reseptor.In Silico Study of Steroid Compound Activity Against Breast Cancer Using Estrogen Alpha (ER-α). Breast cancer is the second worldwide leading cause of cancer death in women after lung cancer. Steroids are a group of active compounds isolated from the Chisocheton genus that has activity against MCF-7 breast cancer cells. This study aimed to determine the interaction activity of steroid compounds against alpha estrogen receptor (ER-α) through in silico method specifically mlecular docking. The modeling of the three-dimensional structure (3D) of steroid compounds was performed by considering their protonation states at pH 7.4. The in silico method was validated by redocking the crystal structure of ER-α until obtaining an RMSD value < 2 Å, using the AutoDock 4.2.6 program. Steroids compounds were screened with the same program namely the molecular docking method. Screening results show that the free energy values of the steroid compounds were -10.08 kcal/mol (7α-hydroxy-β-sitosterol) and -10.75 kcal/mol (stigmast-5-en-3β-ol), which are stronger than estradiol (-9.62 kcal/mol) as native ligand of ER-α. Both of these compounds can inhibit the alpha estrogen receptor, in which the stigmast-5-en-3β-ol compound has a greater potential because of its lower free energy value. This finding indicates that modification of the compound's structure could change the binding energy value and interaction between ligands and receptors.

Two dammarane-type triterpenoids, 20 S ,24 S -epoxy-3α,25-dihydroxydammarane ( 1 ) and 3α-acetyl-20 S ,24 S -epoxy-3α,25-dihydroxydammarane ( 2 ), have been isolated from the stembark of Aglaia argentea . The chemical structure of compounds ( 1 and 2 ) were identified by spectroscopic evidences including UV, IR, 1D-NMR, 2D-NMR and MS as well as by comparing with previously reported spectral data. Those compounds were isolated from this plant for first time. Compounds ( 1 and 2 ) showed cytotoxic activity against P-388 murine leukemia cells with IC 50 values of 23.96 and 8.14 mM, respectively. DOI: http://dx.doi.org/10.15408/jkv.v4i1.7065

Dalam penelitian berkelanjutan untuk pencarian senyawa-senyawa yang bersifat insektisida daritanaman Kalanchoe (Cocor bebek) Indonesia, diperoleh hasil bahwa ekstrak metanol daun Cocorbebek (Kalanchoe daigremontiana) memberikan aktivitas insektisida yang kuat terhadap instar ke tigalarva ulat sutera (Bombyx mori). Ekstrak metanol yang diperoleh selanjutnya dipisahkan senyawasenyawanyamenggunakan partisi dengan pelarut organik dan kombinasi kolom kromatografi padasilika gel dan ODS sehingga dihasilkan satu senyawa aktif insektisida. Struktur kimia senyawa yangbersifat insektisida tersebut ditentukan dengan metoda spektroskopi dan perbandingan data spektrasenyawa analog yang telah diperoleh dari penelitian sebelumnya sehingga senyawa aktif insektisidatersebut diidentifikasikan sebagai senyawa turunan bufadienolida, daigremontianin. Daegremontianinmenunjukkan aktivitas insektisidal yang kuat terhadap instar ke tiga ulat sutera (Bombyx mori) denganLD50 0,9 μg/g diet.

Objective: Endophytes have the potential to synthesize various bioactive secondary metabolites. The aims of the study were to isolate the major compound from endophytic Cladosporium sp. EN-S01., identify its function group, then evaluate its cytotoxicity.Methods: The endophytic fungus was grown in potato dextrose broth and extracted using ethyl acetate. Secondary metabolites were isolated by chromatographic separation and re-crystallization, and function group was determined by infrared spectroscopy. In vitro cytotoxicity was evaluated by the prestoblue assay.Result: The isolated aromatic compound evaluated by prestoblue assay against breast cancer cell line MCF-7 showed cytotoxicity with IC50 value of 746,03 ppm.Conclusion: Our findings indicate this aromatic compound might be useful lead compounds to develop cytotoxic drugs.

Objective: To investigate the in vitro cytotoxicity effect of the crude ethyl acetate extract of Cladosporium sp. on MCF-7, HeLa, and DU-145 cell lines. Methods: In vitro cytotoxicity was evaluated by tetrazolium reduction assay. The percentage of cell inhibition was analyzed using probit analysis to obtain 50% inhibitory concentration (IC 50 ). Morphological alteration of the cell lines after exposure with extract was observed under an inverted microscope. Results: The ethyl acetate extract of the metabolite performed an anticancer activity for cancer cell line MCF-7, HeLa, and DU-145 with IC 50 respectively 8.46 μg/ml; 9.87 μg/ml; and 98.03 μg/ml. The extract shows greater the anticancer activity and has strong antiproliferative on MCF-7 and HeLa cell line than DU-145. Confirmation morphological were observed under the inverted microscope showed a morphological change in cancer cells when incubated with the extract. Conclusion: From the performed assay, the crude extract of Cladosporium sp. exhibit cytotoxic activity against MCF-7, HeLA, and DU-145.