Molecular Docking Study of Nigella sativa Alkaloid Compounds as the Inhibitor of Papain-Like Protease SARS-CoV-2

SARS-CoV-2 causes about 66% of China’s Wuhan market workers to experience fever, dry cough, and fatigue. Black cumin (Nigella sativa) is a plant with many benefits to cure many illnesses like hypertension, headache, infection, and inflammation. This study aimed to investigate the inhibition by compounds belonging to the Alkaloid group from Black Cumin Seed to inhibit PLpro activity as a target for SARS-CoV-2. The study used five alkaloid compounds ((2E,4E)-Decadienal, (2E,4Z)-Decadienal, Nigellicine, Nigellidine, and Nigellimine) from the Black cumin seed and a PLpro SARS-CoV-2 receptor (PDB ID: 6WX4). The methods used are ligand and receptor preparation, grid box validation, molecular docking, 2D and 3D visualisation, and data analysis using Gibbs free energy, type of interaction, and contact of amino acid residues data. This study used YASARA structure and BIOVIA Discovery Studio. The results showed that Nigellidine has the highest Gibbs free energy with a -2.67 kcal/mol score, higher than VIR251. PLpro has a catalytic triad at Cys111, His272, and Asp286 residues, the compound that binds to the active site is Nigellicine found at amino acid Cys111 with Pi-Sulfur

The Effect of Solvent Concentration Against Specific and Non Specific Parameters of Standardization: Ethanolic Extract of Papaya Seed (Carica papaya Linn.)

Papaya plants (Carica papaya L.) can be used as traditional medicine. The parts of the plant commonly used as medicine are the seeds and leaves. Assurance of the quality of the extract obtained needs to be carried out by testing specific and non-specific parameters. The aim of the study was to determine the effect of the percentage of ethanol solvent concentration on specific parameters (organoleptic, phytochemical screening, and total phenolic content) and non-specific parameters (moisture content, ash content, and specific gravity) of papaya seed extract (Carica papaya L.). This type of laboratory experimental qualitative research was done to determine the effect of the percentage of ethanol solvent concentration (70% and 95%) on specific and non-specific parameters. Specific and non-specific parameter testing is based on work procedures listed in the Indonesian Herbal Pharmacopoeia. The results of testing the specific parameters on organoleptics showed no difference in the extract obtained, which was viscous and dark brown in color with a characteristic odor. Based on qualitative phytochemical screening, 70% ethanol extract contains alkaloids, flavonoids, tannins, and saponins. However, the 95% ethanol extract was only positive for alkaloids, flavonoids, and tannins. The phenolic content test of 70% ethanol and 95% ethanol extracts was 4.31 ± 0.65 mg GAE/g and 2.69 ± 0.41 mg GAE/g, respectively (Sig 0.022 < 0.05). Extract non-specific parameter test results. The ash content test for 70% and 95% ethanol extracts was 9.5% ± 0.21% w/w and 8.5% ± 0.06% w/w (Sig 0.043 < 0.05). The respective water contents were 8.7 ± 0.11% w/w and 9.7 ± 0.26% w/w (Sig 0.046 < 0.05). The specific gravity of each obtained was 0.88 ± 0.006 % g/ml and 0.75 ± 0.006% g/ml (Sig 0.043 < 0.05). The conclusion of this study is that the concentrations of 70% ethanol  and 95% ethanol in papaya seed ethanol extract have an effect on specific parameters, namely the measurement of total phenolic content. While the non-specific parameters affect the water content, total ash content, and specific gravity

Molecular Docking and Molecular Dynamics Simulation using Monascus sp. as a Candidate Cervical Cancer Drug

Cervical cancer is the fourth most common female cancer worldwide and results in over 300000 deaths globally. Given that HPV prophylactic vaccines do not exert a therapeutic effect in individuals previously infected, it is unlikely that HPV-associated cancers will be eradicated in the coming years. Therefore, there is an emerging need for the development of anti-HPV drugs. The purpose of this study is to find out Monascus sp. as cervical anticancer using molecular docking and dynamics methods. The results of docked with AutodockTools were visualized with Pymol, analyzed the effectiveness using the Ramachandran plot. The docking results show that there are 2 pigments that have lower G than raloxifen in estrogen receptor beta with the lowest G indicated by the pigment Monascin and Ankaflavin, which is -6.94 kcal/mol with Ki value of 39.49 nM and -6.22 kcal/mol with Ki value of 27.78 nM. The results of molecular dynamics, Ankaflavin and Monascin have good stability at estrogen receptor beta because the outlier area has a value 11.722% and 10.256%. And the amino acid residues in the most preferred area were 68.864% and 70.330%. In addition, Monascopyridine B and Monascuspiloin pigments showed good and stable results at the EGFR receptor because the outlier areas were 14.692% and 10.623%. And the amino acid residues in the most-favored region were 65.403% and 73.260%. Based on the results of this study, we predict that Ankaflavin, Monascin, Monascopyridine B and Monascuspiloin can be used as new cervical anticancer candidates after validated with in vitro and in vivo tests

Isolation and Cytotoxic Activity Test of Alkaloids from Dichloromethane Fraction of Bark of Tampa Badak (Voacanga foetida (Blume) Rolfe) Against T47D Cell Line

Cancer is a problem in the health sector because this disease has an increasing incidence of morbidity and mortality. While the treatment still leaves some drug side effects, which cause discomfort for cancers sufferers. The arises because most cancer drugs work non-selectively. Because of some of the problems above, it is necessary to encourage the search for alternative drugs treatment of cancer. Voacanga foetida (Blume) Rolfe (Apocynaceae) is a species of plant from the genus Voacanga known as the tampa badak from West Sumatra. This plant is known to be source of indole alkaloids and also bis-indole alkaloids potential as cancer drugs. Therefore, in this study we are interested to explore the potency of this plant as natural product sources with potential cytotoxic activity. The study was started from the isolation process and continued by characterization of the isolated compounds and then testing their cytotoxic activity T47D breast cancer cell line. The isolation process of alkaloid compounds were performed by acid-base extraction, liquid-liquid fractionation, and followed by separation using column chromatography. Then,the potency of cytotoxic activity of the isolates were screened through Brine Shrimp Lethality Test (BSLT) method and evaluated by MTT assay. The structure of three isolated alkaloids (VFB-DB1.1; VFB-DB2.1; and VFB-DB2.2) were charachterized using spectroscopic analyses, including UV and FT-IR. One isolated compound (VFB-DB1.1) was also characterized using 1H NMR spectroscopy. Based on the similarity of 1H NMR spectra of isolated compound when compared with the literature, compound VFB-DB1.1 was identified as voacangine. Then, the BSLT and MTT assay result showed that VFB-DB1.1 exhibited LC50 value of 15.8 µg/mL againt Artemia salina L.and IC50 value of 8.9 µg/mL against T47D breast cancer cells, respectively

Formulation of Silver Nanoparticle Mouthwash and Testing of Antibacterial Activity Against Staphylococcus aureus

Silver Nanoparticles (AgNP) are silver particles of no more than 100 nm in size. Silver nanoparticles have antimicrobial characteristics and have been applied to various fields as antibacterial agents. This study aims to formulate and examine the antibacterial activity in preparing silver nanoparticle mouthwash on Staphylococcus aureus. The silver nanoparticles are synthesized using a chemical reduction method, of which the wavelength is then characterized using UV-Vis spectrophotometry, and the PSA instrument is used for particle size. Silver nanoparticles are formulated for a mouthwash with various concentrations such as 0%, 60%, 70%, and 80% consecutively as formula 1, 2, 3, and 4. The observation is then performed on the organoleptic, pH, stability, and bacterial activity of the Staphylococcus aureus using the disk diffusion method. The study results indicate that the preparation of silver nanoparticle mouthwash has a good organoleptic; the average pH of formula 1, 2, 3, and 4 consecutively is 3.40, 3.40, 3.46, and 3.54; however, it is not stable during the storage stage. The result of the antibacterial activity test on Staphylococcus aureus bacteria shows that formula 2 has the most oversized average inhibition zone diameter that is 13.14±0.31 mm compared to formulas 1, 3, and 4, namely 5.20±0.44; 12.40±0.74; and 8.40±0.89 mm. The active formula of mouthwash preparation to inhibit the growth of Staphylococcus aureus bacteria is formula 2

Adsorptive Removal of Chemical Oxygen Demand Using Eggshells and Tea Waste Entrapped in Calcium Alginate

This study aims to assess the efficiency of two agricultural wastes as biosorbents to remove the chemical oxygen demand (COD) from a batik wastewater sample. COD-containing batik wastewater was treated with a combination of biosorbents by eggshells and tea waste activated using H?SO? and then immobilized in calcium alginate through the entrapment technique. The contact time, pH, and biosorbent dose were all investigated to examine the efficiency of biosorbent to remove COD. The independent variables for the optimization process are the contact time (47.13, 50, 60, 70, and 72.87 min), pH of the samples (1.71, 2,3, 4, and 4.28), and the ratio of the number of biosorbent between eggshells: tea waste (2.67:12.33, 3.75:11.25, 7.5:7.5, 11.25:3.75, and 12.33:2.67). The Characterization of the biosorbents was investigated using scanning electron microscopy (SEM), Fourier transforms infrared spectroscopy (FTIR), and energy-dispersive x-ray (EDX) analysis. The results show that eggshells and tea waste immobilized by calcium alginate with a ratio of 2.67 g: 12.33 g, a contact time of 60 min, and a sample pH of 3 are 89% effective in removing the COD in batik wastewater samples

Effect of Education on Knowledge and Attitude Level Related to Vitamin D in Pharmacy Students

Indonesia is a country located in the tropics with sun exposure throughout the season. Sun exposure is the best source of vitamin D and there have been no cases of vitamin D intoxication due to excessive sun exposure. Pharmacy students tend to lack knowledge of vitamin D. Changes in lifestyle and modernization lead to high use of sunscreens which can lead to a decrease in the synthesis of vitamin D in the skin. This research was conducted to determine the differences in knowledge and attitudes towards sun exposure using cross sectional method on 100 first semester pharmacy students and 100 final semester students. Test differences in aspects of knowledge and attitudes using odds ratios. The results of the knowledge aspect odds ratio test are 1,000 and the attitude aspect odds ratio test results were 0.583 so that it can be concluded that both knowledge and attitudes towards sun exposure have the same risk tendency for first semester and final semester pharmacy students

Assessment of Physico-Chemical Properties of Drinking Water in District Mardan, Khyber Pakhtunkhwa, Pakistan

The issue of water quality is becoming ever more serious as freshwater resources are severely degraded across the world. Water quality in rivers, streams, lakes, and subterranean aquifers is deteriorating, posing a threat to human life and ecological sustainability. A proper study of the physico-chemical properties of the water samples give us insight into the quality of life in a specific region, as poor water quality not only affects the aquatic life but the surrounding ecosystem as well. In the present study, 30 different water samples were collected from different regions of district Mardan and they were analyzed for their physico-chemical properties such as pH, total suspended solids, conductivity, total dissolved solids, nitrates concentration, sulphates concentration, chlorides concentration, dissolved oxygen, and biochemical oxygen demand. The results of the analysis show that most of the parameters have significantly higher values than the WHO permissible limits. From the analysis of water samples, the researchers have been able to designate the study area with poor water quality and to propose future advice for sustaining the water quality in the region

Formulation and Stability Tests of Hair Tonic from Oil Palm (Elaeis guineensis Jacq.) Leaves Extract and Effectiveness in Protecting Hair

Hair loss is a condition that unavoidable process, where the hair is detached more than 100 strands per day that occurs continuously. Oil palm leaf with their compounds can be used to treat hair loss and damage. The purpose of this study was to formulate oil palm leaf extract into hair tonic preparations and evaluate the effectiveness in preventing hair damage. Hair tonic formula from oil palm leaf extract contains 96% ethanol, menthol, propylene glycol, phenoxyethanol, and aquades. The evaluation of hair tonic preparations included organoleptic, homogeneity, pH, and viscosity tests, as well as tests of antioxidant activity and effectiveness of hair tonic preparations. The results of the antioxidant activity test of oil palm leaf extract hair tonic showed the IC50 value at room temperature (25°C) indicating an average value of 37.2519±8.535 ppm, warm temperature (50°C) 40.5459±9.086 ppm, and cold temperature (4°C) 36.8257±6.928 ppm, which belongs to the category of very strong antioxidant activity, with the results of the evaluation of the oil palm leaf hair tonic slightly colored. greenish to dark green, has a distinctive menthol aroma, has a pH and viscosity that meets the requirements of a good hair tonic preparation, with pH between 3-7 and viscosity less than 5 cPs. Hair tonic preparations of oil palm leaf extract can prevent hair decolorization due to sun exposure at concentrations of 25 ppm to 200 ppm