Judul: Analyzing The Proteins of Indonesia Varian Chikungunya Virus for Antiviral Design from Bioactive Compounds of Indonesian Herbs
Abstrak: Chikungunya merupakan penyakit menular yang disebabkan oleh virus chikungunya (CHIKV) dan belum ditemukan obatnya. Penelitian ini bertujuan mengidentifikasi protein CHIKV yang berpotensi sebagai target obat serta memprediksi senyawa bioaktif dari tanaman herbal Indonesia sebagai kandidat obat anti-CHIKV. Sekuens protein CHIKV diperoleh dari publikasi terbaru mengenai endemik chikungunya pada tahun 2015. Selanjutnya, protein-protein tersebut dianalisis tingkat paraloginya satu sama lain, homologinya terhadap proteom manusia dan bakteri usus, serta interaksinya dengan protein manusia. Hasil beberapa analisis tersebut menunjukkan nsP2 merupakan protein paling potensial untuk dijadikan sebagai target obat. Kandidat obat dipilih dari ligan herbal yang telah dipublikasikan strukturnya sebanyak 5550 senyawa. Hasil penapisan virtual menunjukkan lima senyawa katekin yang berpotensi dikembangkan sebagai inhibitor nsP2 yaitu epigalokatekin 3-O-(3-O-metil)-galat (EGCMG), epigalokatekin 3-O-galat (EGCG), epikatekin 3-O-galat (ECG), epigalokatekin 3-O-kafeat (EGCC), dan galokatekin 3’-O-galat (GCG). Kelima senyawa tersebut memiliki afinitas pengikatan pada rentang -8,0 sampai -7,5 kcal/mol (AutoDock Vina) dan -9,19 sampai -9,88 kcal/mol (AutoDock 4)., Chikungunya is an infectious disease caused by CHIKV, and the drug for the disease has not been identified yet. This research aimed to identify the essential proteins of CHIKV as drug targets and predict bioactive compounds from Indonesian herbal plants as the drug candidates for CHIKV. The essential proteins of CHIKV were obtained from the recently published studies which were the data from the endemic happened in 2015. These proteins were analyzed by the level of paralogy within each other, the homology against proteomes of human and gut microbiome, and their interaction with the human proteins. The investigation shows that nsP2 was the most potent protein for the drug targets. In addition, the drug candidates were virtually screened from 5550 of the herbal compounds in which the structures had been published. Five compounds potentially to be investigated for the next study were EGCMG, EGCG, ECG, EGCC and GCG. The binding affinities are in range -8.0 to -7.5 kcal/mol (AutoDock Vina) and -9.19 to -9.88 kcal/mol (AutoDock 4).
Keyword: chikungunya virus, docking, epigallocatechin, nsP2, virtual screening

Judul: Analisis Protein Esensial pada Virus Chikungunya Strain Indonesia untuk Identifikasi Target Obat secara In Silico.
Abstrak: Penyakit chikungunya merupakan penyakit menular yang disebabkan virus chikungunya (CHIKV) melalui nyamuk Aedes aegypti dan Aedes albopictus dengan perantara artropoda (arbovirus). Belum adanya obat yang dapat menginhibisi virus ini dengan spesifik. Oleh karena itu, penelitian ini bertujuan mencari protein target pada virus chikungunya sebagai reseptor senyawa yang berpotensi untuk kandidat obat. Hasil investigasi protein CHIKV struktural maupun non struktural untuk penambatan obat hampir semua protein yaitu esensial. Reseptor yang terpilih yaitu Envelope 2 (E2) yang strukturnya dimodelkan menggunakan AlphaFold2, namun beberapa residu E2 yang berbeda antara strain Indonesia dan strain CHIKV yang struktur E2 nya telah dipublikasikan. Dilakukan penapisan virtual sebanyak 3768 Senyawa herbal Indonesia (sumber data herbal DB) yang berpotensi menghambat proses infeksi CHIKV pada manusia dengan reseptor E2. Sebanyak 20 senyawa terbaik berdasarkan nilai energi afinitas (ΔG) dievaluasi pada aspek bioavabilitasnya. Kandidat senyawa herbal yang diperkirakan tertambat dengan baik pada reseptor E2 CHIKV yaitu 23-hydroxy-mangiferonic acid dari tanaman manggis hutan (Garcinia cornea) dan manga (Mangifera indica) dengan nilai ΔG sebesar -9.0 kkal/mol., Chikungunya disease is an infectious disease caused by the chikungunya virus (CHIKV) through Aedes aegypti and Aedes albopictus mosquitoes through arthropods (arboviruses). There is no drug that can inhibit this virus specifically. Therefore, this study aims to find the target protein in the chikungunya virus as a compound receptor that has the potential for drug candidates. The results of the investigation of structural and non-structural CHIKV proteins for drug binding almost all proteins are essential. The selected receptor is Envelope 2 (E2) whose structure is modeled using AlphaFold2, but several different E2 residues between the Indonesian strain and the CHIKV strain whose E2 structure have been published. Virtual screening was performed of 3768 Indonesian herbal compounds (DB herbal data source) which have the potential to inhibit the CHIKV infection process in humans with E2 receptors. The 20 best compounds based on the energy affinity value (ΔG) were evaluated in terms of their bioavailability. Candidate herbal compounds that are thought to bind well to the CHIKV E2 receptor are 23-hydroxy-mangiferonic acid from forest mangosteen (Garcinia cornea) and manganese (Mangifera indica) with an G value of -9.0 kcal/mol.
Keyword: chikungunya, molecular docking, protein E2, virtual screening

Judul: Dampak Perceraian dan Hubungan Sosial terhadap Kesejahteraan Psikologis Ibu sebagai Orang Tua Tunggal
Abstrak: Family with a single mothers who came from divorced, often bring the impact such as problem or change on a single mothers well-being. The aim of this research to indentify characteristics of single mother and relations with psychological well-being and social relations, and also analyze impact divorce on psychological well-being and social relations. Descriptive analysis, regression, and Pearson correlation was used in this study. The respondents were sixty single mother who come from the length divorced more than six month. The result showed that compare with present condition, psychological well-being, impact of divorce and social relation respondent are more significant lower than the first six month after divorce. There was relationship between age of present and divorce, family’s income, and size of family with level of depression, social support, and economic impact. Based on regression analysis we found there was negative effect of impact of divorce to psychological well-being at the first six month after divorce and the present. Other wise, we found there was not significant effect of divorce to social relationship.
Keyword: economic impact, level of depression, social support