Judul: Virtual screening of Ligands with Epidermal Growth Factor Receptor Protein as Candidate Targeted Therapy for Lung Cancer
Abstrak: Salah satu cara pengobatan kanker paru-paru yaitu melalui metode terapi target dengan mekanisme pemberian obat ke molekul spesifik yaitu sel kanker. Penelitian ini dimaksudkan untuk menemukan kandidat obat terapi kanker paru- paru melalui metode komputasi dengan melihat nilai energi afinitas dan pengujian toksisitasnya. Sebanyak 250 struktur EGFR (tipe wildtype dan mutasi) sebagai protein target akan dilakukan virtual screening dan penambatan molekul dengan ligan dari database zinc20 sejumlah 131.328 ligan. Hasil dari virtual screening tersebut didapatkan delapan belas struktur ligan terbaik yaitu tujuh ligan yang berinteraksi dengan struktur EGFR tipe wildtype dengan nilai energi afinitasnya sebesar -9,76 kcal/mol hingga -9,32 kcal/mol. Sebanyak sebelas ligan yang berinteraksi dengan struktur mutasi dengan nilai energi afinitas -9,11 kcal/mol hingga -8,08 kcal/mol. Terdapat lima ligan yang berinteraksi dengan baik di struktur wildtype dan mutasi yaitu ligan dengan rumus kimia C24H16F2N2O4, C20H13F2N5O4,C23H27N5O4,C19H21N5O4S2, dan C22H26ClN5O2. Struktur reseptor dari protein EGFR yang paling banyak berikatan dengan ligan terbaik adalah struktur dengan kode 3W33,3W2S, dan 4LI5. Jenis asam amino yang sama pada struktur wildtype dan mutasi yang muncul yaitu pada ikatan hidrofobik adalah Asp855 dan pada ikatan hidrogen adalah Val726 dan Leu718., One of the treatments for lung cancer is through targeted therapy, which involves the administration of drugs to specific molecules, namely cancer cells. This research aims to discover potential lung cancer therapy candidates through computational methods by examining the affinity energy values and conducting toxicity testing. A total of 250 EGFR structures (wildtype and mutations) as target proteins will undergo virtual screening and molecular docking with ligands from the zinc20 database, consisting of 131.328 ligands. The results of the virtual screening identified eighteen top ligand structures, including seven ligands that interacted with the wildtype EGFR structure with affinity energy values ranging from -9,76 kcal/mol to -9,32 kcal/mol. Eleven ligands interacted with the mutation structure with affinity energy values from -9,11 kcal/mol to -8,08 kcal/mol. Five ligands showed good interaction with both wildtype and mutation structures, namely C24H16F2N2O4,C20H13F2N5O4,C23H27N5O4, C19H21N5O4S2, and C22H26ClN5O. As for the receptor structure of the EGFR protein that bound most to the top ligands, the structures with the codes 3W33, 3W2S, and 4LI5 were predominant. The same amino acids that appeared in both wildtype and mutation structures in hydrophobic bonds were Asp855, and in hydrogen bonds is Val726 and Leu718.
Keyword: kanker paru-paru, EGFR, docking, energi afinitas, interaksi ligan-protein

Judul: Metabolite Potential of Hermetia illucens Maggot Extract in Inhibiting Tyrosine Kinase Activity in Human Epidermal Growth Factor  Receptor-2
Abstrak: Kanker merupakan pembunuh nomor dua setelah penyakit kardiovaskular. Terdapat jenis kanker dengan nilai prevalensi tinggi yaitu kanker payudara. Kanker tersebut disebabkan oleh ekspresi berlebih pada Human Epidermal Growth Factor Receptor-2 (HER-2). Penelitian ini bertujuan menentukan potensi metabolit ekstrak maggot Black Soldier Fly (Hermetia illucens) sebagai kandidat obat antikanker payudara melalui interaksi antarmolekul dan karakteristik farmakokinetik ligan. Metode penelitian ini dilakukan secara in silico menggunakan YASARA Structure. Berdasarkan hasil penelitian, senyawa alkaloid etana;(3Z,6Z)-5-imino-N,N,3- trimetil-8-[5-[(4-metil-1-bisiklo[4.1.1]oktanil)metill]-2,3,3a,4,6,6a-heksahidropir olo[2,3-c]pirol-1-yl]nona-1,3,6,8-tetraen-4-amina yang merupakan ligan uji pelarut air memiliki pengikatan yang paling baik dengan nilai ΔG -9,7300 kkal/mol dan konstanta disosiasi (Kd) 0,0738 µM. Nilai tersebut lebih besar dari nilai ΔG pada ligan pembanding komersial yaitu neratinib sebesar -9,2610 kkal/mol dan nilai Kd sebesar 0,1628 µM, sehingga senyawa alkaloid tersebut memiliki aktivitas inhibisi terhadap tirosin kinase pada HER-2. Simpulan penelitian ini menunjukkan bahwa metabolit ekstrak maggot Black Soldier Fly (Hermetia illucens) berpotensi sebagai kandidat obat antikanker payudara., Cancer is the second killer after cardiovascular disease. There is a type of cancer with high prevalence value, namely breast cancer. The cancer is caused by overexpression in HER-2 (Human Epidermal Growth Factor Receptor-2). This study aims to determine the potential metabolites of Black Soldier Fly maggot ex tract (Hermetia illucens) as a breast cancer drug candidate through intermolecular interactions and pharmacokinetic characteristics of ligands. This study used the YASARA Structure for the in silico method. Based on the results of the study, the alkaloid compound ethane;(3Z,6Z)-5-imino-N,N,3-trimethyl-8-[5-[(4-methyl-1-bi cyclo[4.1.1]octanyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1- yl]nona-1,3,6,8-tetraen-4-amine of the water extract was the best ligand for binding HER-2 with a value of ΔG -9,7300 kcal/mol and dissociation constant (Kd) 0,0738 µM. This value was greater than commercial ligand, neratinib (ΔG -9,2610 kcal/mol, Kd value of 0,1628 µM). Therefore this alkaloid compound has inhibitory activity against tyrosine kinase on HER-2. The conclusion is that metabolite of Black Soldier Fly maggot extract (Hermetia illucens) has the potential as a breast cancer drug candidate.
Keyword: breast cancer, Hermetia illucens, HER-2, maggot extract, molecular  docking

Judul: Biology and ecology of the buffalo fly, haematobia exigua de meijere (diptera:muscidae)
Abstrak: The life history of the buffalo fly was observed at room temperature of 27°-29.5°C and at a relative humidity of 48-68 percent. The eggs hatched after 17-22 hours, with an average of 18 hours. First instar larvae measured 1.25 + 0.16 mm long and 0.27 + 0.037 mm wide. reach the second larval stage. It took 6-12 hours to the second instar larvae measured 2.676 +0.187 mm long and 0.353 +0.028 mm wide. The second instar took about 12-24 hours to reach the third larval stage. The third instar measured 6.833 + 0.189 mm long and 0.919 + 0.051 mm wide. It took about 2-3 days for the third instar to become pupae. Duration of the pupal stage was about 5-7 days before the adults emerged. Under laboratory condition, the buffalo fly completed its life cycle in 9.5 to 10.5 days, whereas under field condition it took 9-14 days with an average of 10.5 days. The growth ratio which was based on the measurements of the cephalo-pharyngeal skeleton of each instar was 1.797. The preoviposition period was 8-12 days and mating usually occurred on the 6th or 7th day. The longevity of the male was 29 days, whereas it was 32 days in the female. The range of egg production under laboratory condition was between 20-139 per female fly. The belly and hind legs of the carabao were the most preferred habitat either during cloudy and cool dry or shiny and warm day. When the weather was clear and the carabao was in the shade, the flies tended to be more distributed particularly on the shoulder, dewlap, back and horns. The carabaos had relatively fewer Musca sp. and Stomoxys calcitrans than cattle; never the less carabaos had a higher infestation of buffalo fly than cattle. Oviposition occured either during the day or night but the buffalo flies were more active during the night than in the day time. The effect of various lengths of exposure time of manure in relation to the oviposition was profound. observed, the maximum number of the buffalo flies was occurred when the dung was exposed for 30 minutes. With increasing time of exposure the number and variety of insects also increase. It was evident that Sepsidae and psychodidae were the most dominant insects emerging from the dung. The number of buffalo flies also increased with increasing
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