Since the outbreak of the COVID-19 (coronavirus disease 19) pandemic, researchers have been trying to investigate several active compounds found in plants that have the potential to inhibit the proliferation of SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2). The present study aimed to evaluate bioactive compounds found in plants using a molecular docking approach to inhibit the main protease (Mpro) and spike (S) glycoprotein of SARS-CoV-2. The evaluation was performed on the docking scores calculated using AutoDock Vina (AV) as a docking engine. A rule of five (Ro5) was calculated to determine whether a compound meets the criteria as an active drug orally in humans. The determination of the docking score was performed by selecting the best conformation of the protein-ligand complex that had the highest affinity (most negative Gibbs’ free energy of binding/ Δ G ). As a comparison, nelfinavir (an antiretroviral drug), chloroquine, and hydroxychloroquine sulfate (antimalarial drugs recommended by the FDA as emergency drugs) were used. The results showed that hesperidin, nabiximols, pectolinarin, epigallocatechin gallate, and rhoifolin had better poses than nelfinavir, chloroquine, and hydroxychloroquine sulfate as spike glycoprotein inhibitors. Hesperidin, rhoifolin, pectolinarin, and nabiximols had about the same pose as nelfinavir but were better than chloroquine and hydroxychloroquine sulfate as Mpro inhibitors. This finding implied that several natural compounds of plants evaluated in this study showed better binding free energy compared to nelfinavir, chloroquine, and hydroxychloroquine sulfate, which so far are recommended in the treatment of COVID-19. From quantum chemical DFT calculations, the ascending order of chemical reactivity of selected compounds was pectolinarin > hesperidin > rhoifolin > morin > epigallocatechin gallate. All isolated compounds’ C=O regions are preferable for an electrophilic attack, and O-H regions are suitable for a nucleophilic attack. Furthermore, Homo-Lumo and global descriptor values indicated a satisfactory remarkable profile for the selected compounds. As judged by the RO5 and previous study by others, the compounds kaempferol, herbacetin, eugenol, and 6-shogaol have good oral bioavailability, so they are also seen as promising candidates for the development of drugs to treat infections caused by SARS-CoV-2. The present study identified plant-based compounds that can be further investigated in vitro and in vivo as lead compounds against SARS-CoV-2.

Since the outbreak of the COVID-19 (Coronavirus Disease 19) pandemic, researchers have been trying to investigate several active compounds found in plants that have the potential to inhibit the proliferation of SARS-CoV-2 (Severe acute respiratory syndrome coronavirus 2). The present study aimed to evaluate bioactive compounds found in plants by using a molecular docking approach to inhibit the Main Protease (Mpro) and Spike (S) glycoprotein of SARS-CoV-2. The evaluation was performed on the docking scores calculated using AutoDock Vina as a docking engine. A rule of five (RO5) was calculated to determine whether a compound meets the criteria as an active drug orally in humans. The determination of the docking score was done by selecting the best conformation of the protein-ligand complex that had the highest affinity (most negative Gibbs' free energy of binding / ΔG). As a comparison, nelfinavir (an antiretroviral drug), chloroquine and hydroxychloroquine sulfate (anti-malarial drugs recommended by the FDA as emergency drugs) were used. The results showed that hesperidin, nabiximols, pectolinarin, epigallocatechin gallate, and rhoifolin had better poses than nelfinavir, chloroquine, and hydroxychloroquine sulfate as spike glycoprotein inhibitors. Hesperidin, rhoifolin, pectolinarin, and nabiximols had about the same pose as nelfinavir, but were better than chloroquine and hydroxychloroquine sulfate as Mpro inhibitors. These plant compounds have the potential to be developed as specific therapeutic agents against COVID-19. Several natural compounds of plants evaluated in this study showed better binding free energy compared to nelfinavir, chloroquine, and hydroxychloroquine sulfate which so far are recommended in the treatment of COVID-19. As judged by the RO5 and previous study by others, the compounds kaempferol, herbacetin, eugenol, and 6-shogaol have good oral bioavailability, so they are also seen as promising candidates for the development lead compounds to treat infections caused by SARS-CoV-2.

Background: Since the outbreak of the coronavirus disease 2019 (COVID-19) pandemic, researchers have been trying to investigate several active compounds found in plants that have the potential to inhibit the proliferation of SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2), the cause of COVID-19. The search for plant-based antivirals against the SARS-CoV-2 is promising, as several plants have been shown to possess antiviral activities against betacoronaviruses (beta-CoVs) Objective: The present study aimed to evaluate bioactive compounds found in plants by using a molecular docking approach to inhibit Main Protease (Mpro) (PDB code: 6LU7) and Spike (S) Glycoprotein (PDB code: 6VXX) of SARS-CoV-2. Methods: Evaluation was performed on the docking scores calculated using AutoDock Vina as a docking engine. For each compound that was docked, a rule of five was calculated to determine whether a compound with certain pharmacological or biological activities might have chemical and physical properties that would make it an active drug orally in humans. Determination of the docking score was done by selecting the conformation of the ligand that has the lowest binding free energy (best pose). As a comparison, nelfinavir (an antiretroviral drug), chloroquine and hydroxychloroquine sulfate (anti-malarial drugs recommended by the FDA as emergency drugs) were used. Results: The results showed that hesperidine, cannabinoids, pectolinarin, epigallocatechin gallate, and rhoifolin had better poses than nelfinavir, chloroquine and hydroxychloroquine sulfate as spike glycoprotein inhibitors. Hesperidin, rhoifolin, pectolinarin, and cannabinoids had about the same pose as nelfinavir, but were better than chloroquine and hydroxychloroquine sulfate as Mpro/3CLpro inhibitors. These plant compounds have the potential to be developed as specific therapeutic agents against COVID-19. Conclusion: Several natural compounds of plants evaluated in this study showed better binding free energy compared to nelfinavir, chloroquine and hydroxychloroquine sulfate which so far are recommended in the treatment of COVID-19.

No abstract

Traditional small-scale gold mining mostly use mercury to extract the gold from ores. However, mercury contamination in the environment can affect the composition and structure of the bacterial community. The purpose of this study was to determine the effect of mercury contamination on the bacterial community in the traditional gold mining waste disposal site and in the rice field. Mercury analysis was carried out using the CVAFS method. Analysis of bacterial communities and structure was carried out based on the results of metabarcoding of the V3-V4 16S rRNA regions obtained from paired-end Illumina MiSeq reads. The results showed that the sample from the mining waste disposal site had a mercury level of 230 mg/kg, while the sample from the rice field had 3.98 mg/kg. The results showed that there were differences in microbial composition and community structure in both locations. With the total reads of 57,031, the most dominant phylum was Firmicutes in the mining disposal site sample. Meanwhile, with the total reads of 33,080, the sample from rice field was dominated by Planctomycetes. The abundant classes of bacteria in the mining waste disposal site, from the highest were Bacilli, Gammaproteobacteria and Planctomycetia, while the sample from the rice field was dominated by the Planctomycetia and Acidobacteria subdivision 6. The families that dominated the sample in disposal site were Bacillaceae and Aeromonadaceae, while the sample from the rice field was dominated by Gemmataceae. The abundant genera in both locations were Bacillus and Gemmata. This study concluded that the high level of mercury in the soil reduced the richness and diversity of bacterial phyla and lower taxa. There was also a shift in the dominance of phyla and lower taxa in both locations. This study provides an understanding of the microbial community structure in the area that is highly contaminated with mercury to open insight into the potential of these bacteria for mercury bioremediation.

Tooth extraction is the process of pulling a tooth out from the alveolus since the tooth can not be treated anymore. The risk factors for complicated tooth extraction are systematic diseases, local state of oral cavity, and age of the patient. The complications that might occur in tooth extraction are bleeding, fracture (crown, root, and mandibula), dry socket, swelling, mandibula dislocation, and shock. This study aimed to obtain the risk factors and complications of tooth extraction at RSGM PSPDG-FK Unsrat. This was a descriptive observational study with a cross sectional design. The total population was 76 patients. There were 44 samples obtained by using a consecutive sampling technique. The results showed that the risk factors oftenly found were hypertension 20.45%, age >60 years 20.45%, and temporomandibular disorders 6.82%. The highest percentage of tooth extraction complications was fractures 31.82% meanwhile the lowest percentage was swelling 2.27%. Conclusion: The risk factors that most often found in tooth extraction patients at RSGM PSPDG-FK Unsrat were hypertension and age >60 years and the complications that frequently occured was fractures. Keywords: tooth extraction, risk factor, complications of tooth extraction.Abstrak: Pencabutan gigi adalah proses pengeluaran gigi dari alveolus, dimana pada gigi tersebut sudah tidak dapat dilakukan perawatan lagi. Faktor risiko terjadinya komplikasi pada pencabutan gigi antara lain: penyakit sistemik, keadaan lokal rongga mulut, dan umur pasien. Komplikasi yang mungkin terjadi selama tindakan pencabutan gigi ialah perdarahan, fraktur (mahkota, akar, mandibula), dry socket, pembengkakan, dislokasi mandibula, syok, dan beberapa komplikasi lainnya. Penelitian ini bertujuan untuk mengetahui gambaran faktor risiko dan komplikasi yang terjadi akibat pencabutan gigi di RSGM PSPDG-FK Unsrat. Penelitian ini menggunakan metode deskriptif observasional dengan desain potong lintang. Teknik pengambilan sampel yaitu consecutive sampling. Jumlah populasi sebanyak 76 pasien, dan berdasarkan rumus teknik pengambilan sampel tersebut diperoleh jumlah sampel sebanyak 44 pasien. Hasil penelitian menunjukkan faktor risiko yang dijumpai selama penelitian yaitu berturut-turut hipertensi 20,45%, umur >60 tahun 20,45%, dan gangguan pada temporomandibular joint 6,82%. Komplikasi pencabutan gigi yang tertinggi yaitu fraktur 31,82% sedangkan komplikasi terendah ialah pembengkakan 2,27%. Simpulan: Faktor risiko yang paling banyak dijumpai pada pasien pencabutan gigi di RSGM PSPDG-FK Unsrat ialah hipertensi dan umur >60 tahun sedangkan komplikasi yang banyak terjadi ialah fraktur.Kata kunci: pencabutan gigi, faktor resiko, komplikasi pencabutan gigi

Background: Since the outbreak of the coronavirus disease 2019 (COVID-19) pandemic, researchers have been trying to investigate several active compounds found in plants that have the potential to inhibit the proliferation of SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2), the cause of COVID-19. The search for plant-based antivirals against the SARS-CoV-2 is promising, as several plants have been shown to possess antiviral activities against betacoronaviruses (beta-CoVs) Objective: The present study aimed to evaluate bioactive compounds found in plants by using a molecular docking approach to inhibit Main Protease (Mpro) (PDB code: 6LU7) and Spike (S) Glycoprotein (PDB code: 6VXX) of SARS-CoV-2. Methods: Evaluation was performed on the docking scores calculated using AutoDock Vina as a docking engine. For each compound that was docked, a rule of five was calculated to determine whether a compound with certain pharmacological or biological activities might have chemical and physical properties that would make it an active drug orally in humans. Determination of the docking score was done by selecting the conformation of the ligand that has the lowest binding free energy (best pose). As a comparison, nelfinavir (an antiretroviral drug), chloroquine and hydroxychloroquine sulfate (anti-malarial drugs recommended by the FDA as emergency drugs) were used. Results: The results showed that hesperidine, cannabinoids, pectolinarin, epigallocatechin gallate, and rhoifolin had better poses than nelfinavir, chloroquine and hydroxychloroquine sulfate as spike glycoprotein inhibitors. Hesperidin, rhoifolin, pectolinarin, and cannabinoids had about the same pose as nelfinavir, but were better than chloroquine and hydroxychloroquine sulfate as Mpro inhibitors. These plant compounds have the potential to be developed as specific therapeutic agents against COVID-19. Conclusion: Several natural compounds of plants evaluated in this study showed better binding free energy compared to nelfinavir, chloroquine and hydroxychloroquine sulfate which so far are recommended in the treatment of COVID-19.

Obesity is one of the global health problem which is often found. Indonesia is a developing country with high incident of obesity. Adolescents are the age group with high levels of obesity risk. The increasing of obesity followed by increasing co-morbidity the potential to be disease in a later time. Obesity increasing the risk of high blood pressure. Hypertension in adolescents already many found. Hypertension in adolescents is problem because it can be continued in adults. one important factor which play a role in obesity is physical activity. Objective: This research to determine the relationship of obesity with blood pressure and physical activity in adolescents in Bitung. Methodology: This study was observational analytic cross sectional design. Results: There were 60 subjekts as the subject of study that meets the inclusions kriteria which have been measured. Consisted of 21 boys and 39 girls. Of 60 obese adolescents are 34 adolescents with high blood pressure, 26 adolescent with normal blood pressure, 52 adolescent with moderate physical activity, 8 adolescents with low physical activity, there is no a significant relationship with blood pressure (Chi Square Test p=0,120), and there is no a significant relationship with physical activity (Chi Square Test: p=0,486. Conclusion: There is no a relationship between obesity with blood pressure and physical activity in adolescents in Bitung.Keywords: obesity, blood pressure and physical activity.Abstrak: Obesitas merupakan salah satu masalah kesehatan dunia yang semakin sering ditemukan. Indonesia merupakan salah satu negara berkembang dengan tingkat obesitas yang tinggi. Remaja merupakan kelompok umur dengan tingkat risiko obesitas yang tinggi. Peningkatan obesitas disertai dengan peningkatan ko-morbiditas yang berpotensi menjadi penyakit degeneratif di kemudian hari. Obesitas meningkatkan resiko terjadinya penyakit tekanan darah tinggi. Hipertensi pada remaja sudah banyak ditemukan. Hipertensi pada remaja merupakan suatu masalah karena dapat berlanjut hingga usia dewasa. Salah satu faktor penting yang berperan pada obesitas adalah aktivitas fisik. Obesitas. Tujuan: Untuk mengetahui hubungan obesitas dengan tekanan darah dan aktivitas fisik pada remaja di kota Bitung. Metode: Penelitian ini merupakan penelitian observasional analitik. Hasil: Terdapat 60 subjek yang memenuhi kriteria inklusi yang telah diukur. Terdiri dari 39 perempuan dan 21 laki-laki dan 39 perempuan. Dari 60 remaja obes tersebut, 34 remaja dengan tekanan darah tinggi, 26 remaja dengan tekanan darah normal, 52 dengan aktivitas fisik sedang, 8 dengan aktivitas fisik rendah, tidak terdapat hubungan bermakna dengan tekanan darah (Uji Chi Square : p=0,120), dan dengan aktivitas fisik (Uji Chi Square : p=0,486). Simpulan: Tidak terdapat hubungan antara obesitas dengan tekanan darah dan aktivitas fisik pada remaja di kota Bitung.Kata kunci: obesitas, tekanan darah, aktivitas fisik