Chintan Bhagat, S. Bhavsar, Rajesh Patel, A. Ghelani, P. Dudhagara, Rajesh Chaudhari
Biomineralization through the biomimetic CO2 sequestration process has been gaining attraction in recent years due to the formation of carbonates widely used as raw material in various industrial processes. The deposition and dissolution of calcium carbonate can be affected by physiochemical factors, such as the type of calcium salt. However, most studies have focused on calcium chloride (CaCl2). In the present study, A potent bacterial carbonic anhydrase (CA) producer, Bacillus oceanisediminis CB1, was screened on CA activity from mangrove plant Avicennia marina, collected from Ghogha, Bhavnagar, India (21.68°N 72.28°E). We premeditated deposition experiments to determine the effects of different calcium salts on calcium carbonate deposition in Bacillus oceanisediminis CB1 colonies. The results demonstrated the calcite formation observed in calcium salt-supplemented nutrient agar, calcium chloride, and calcium acetate. Merely uniform distribution and peripheral distribution of calcite particles found in calcium acetate and calcium chloride supplemented into nutrient agar, respectively. Calcite formation was confirmed by staining with Alizarin Red S dye followed by SEM-EDX. This study will provide a vital reference for designing and applying microbial-induced carbonate precipitation using different calcium salts.
{"title":"Effect of Different Calcium Salts on Calcium Carbonates Formation Induced by Halophilic Bacillus oceanisediminis CB1","authors":"Chintan Bhagat, S. Bhavsar, Rajesh Patel, A. Ghelani, P. Dudhagara, Rajesh Chaudhari","doi":"10.29303/aca.v5i2.138","DOIUrl":"https://doi.org/10.29303/aca.v5i2.138","url":null,"abstract":"Biomineralization through the biomimetic CO2 sequestration process has been gaining attraction in recent years due to the formation of carbonates widely used as raw material in various industrial processes. The deposition and dissolution of calcium carbonate can be affected by physiochemical factors, such as the type of calcium salt. However, most studies have focused on calcium chloride (CaCl2). In the present study, A potent bacterial carbonic anhydrase (CA) producer, Bacillus oceanisediminis CB1, was screened on CA activity from mangrove plant Avicennia marina, collected from Ghogha, Bhavnagar, India (21.68°N 72.28°E). We premeditated deposition experiments to determine the effects of different calcium salts on calcium carbonate deposition in Bacillus oceanisediminis CB1 colonies. The results demonstrated the calcite formation observed in calcium salt-supplemented nutrient agar, calcium chloride, and calcium acetate. Merely uniform distribution and peripheral distribution of calcite particles found in calcium acetate and calcium chloride supplemented into nutrient agar, respectively. Calcite formation was confirmed by staining with Alizarin Red S dye followed by SEM-EDX. This study will provide a vital reference for designing and applying microbial-induced carbonate precipitation using different calcium salts.","PeriodicalId":7071,"journal":{"name":"Acta Chimica Asiana","volume":"34 1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77676503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The study aims to analyze the effect of heteroatom replacement on benzimidazole derivative chemosensor compounds on the ability to form hydrogen bonds with anions. In this case, the N heteroatom in the benzimidazole derivative sensor compound (S1) is replaced with the O heteroatom to become a benzoxazole derivative sensor compound (S3). Calculating the energy of the molecules involved in the electron level gives the following results: replacing heteroatoms with more electronegative atoms increases the HOMO energy of the sensor molecules, making the sensor more reactive to anions and strengthening the binding of the sensor with cyanide anions.
{"title":"Effect of oxygen heteroatom on sensor-cyanide anions binding","authors":"R. Rahmawati, Fara Dwirani Sofia","doi":"10.29303/aca.v5i2.118","DOIUrl":"https://doi.org/10.29303/aca.v5i2.118","url":null,"abstract":"The study aims to analyze the effect of heteroatom replacement on benzimidazole derivative chemosensor compounds on the ability to form hydrogen bonds with anions. In this case, the N heteroatom in the benzimidazole derivative sensor compound (S1) is replaced with the O heteroatom to become a benzoxazole derivative sensor compound (S3). Calculating the energy of the molecules involved in the electron level gives the following results: replacing heteroatoms with more electronegative atoms increases the HOMO energy of the sensor molecules, making the sensor more reactive to anions and strengthening the binding of the sensor with cyanide anions.","PeriodicalId":7071,"journal":{"name":"Acta Chimica Asiana","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88053405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Natural antioxidants are quite popular in beauty products. In further product development, natural antioxidants are needed from local products of the NTB community. This study aims to optimize the antioxidant activity of local products Virgin Coconut Oil (VCO) from Cocos nucifera L. grown in Lombok. This type of research is experimental laboratory research using the DPPH method. VCO was isolated by conventional methods, namely standing and layered filtration. Data were obtained from the results of the UV-Vis spectroscopy test. The results showed that the free radical inhibition of VCO was strong, with an IC50 value of 51.57 and an inhibition of 48% at a 5% VCO concentration. The absorbance of DPPH decreased with increasing reaction time. The decrease in absorbance from every 5 minutes indicates the antioxidant activity continues to a stationary point. A color change indicates the stationary point to yellow. The strong antioxidant activity of VCO is used as the basis for its use as an active ingredient in various cosmetic products. VCO is also believed to have a function as a natural moisturizer.
{"title":"Free radical scavenging actions of virgin coconut oil","authors":"Jono Irawan, A. Hakim, S. Hadisaputra","doi":"10.29303/aca.v5i2.120","DOIUrl":"https://doi.org/10.29303/aca.v5i2.120","url":null,"abstract":"Natural antioxidants are quite popular in beauty products. In further product development, natural antioxidants are needed from local products of the NTB community. This study aims to optimize the antioxidant activity of local products Virgin Coconut Oil (VCO) from Cocos nucifera L. grown in Lombok. This type of research is experimental laboratory research using the DPPH method. VCO was isolated by conventional methods, namely standing and layered filtration. Data were obtained from the results of the UV-Vis spectroscopy test. The results showed that the free radical inhibition of VCO was strong, with an IC50 value of 51.57 and an inhibition of 48% at a 5% VCO concentration. The absorbance of DPPH decreased with increasing reaction time. The decrease in absorbance from every 5 minutes indicates the antioxidant activity continues to a stationary point. A color change indicates the stationary point to yellow. The strong antioxidant activity of VCO is used as the basis for its use as an active ingredient in various cosmetic products. VCO is also believed to have a function as a natural moisturizer.","PeriodicalId":7071,"journal":{"name":"Acta Chimica Asiana","volume":"29 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80068682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. Armid, Fahmiati Fahmiati, H. Ritonga, Darwin Ismail, L. Ramadhan
Using methyl orange (MO) in dye industries can cause the accumulation of MO waste in aquatic systems, including seawater. A magnetic material-silica-zeolite (MM-SiO2-NZ) composite was investigated in vitro to adsorb methyl orange (MO) dye. MM-SiO2-NZ composite was characterized using FTIR, XRF, and VSM. Adsorption studies with pH, concentration, contact time, and temperature variations were carried out to determine the adsorption capacity. The MM-SiO2-NZ characterization results by FTIR showed the presence of OH groups from Fe-OH, Si-OH, and Al-OH, and there were Fe-O, Si-O, Al-O, Si-O-Si, and Si-O-Fe groups. The results of XRF characterization showed that the metal oxide content of Fe2O3 in magnetic material (MM) was 75.39% and decreased to 52.63% after the MM-SiO2-NZ composite was formed. The characterization using VSM indicated the magnetic properties of MM to be 44.083 emu/g, then decreased to 11.407 emu/g after being composited. The adsorption of MM-SiO2-NZ tends to follow the Langmuir adsorption isotherm with a Langmuir constant (KL) value of 1.332 L/mg. Furthermore, the adsorption kinetics followed the pseudo-second-order kinetics with a constant value (k2) of 3×10-2 g.mg/min. MO dye adsorption by MM-SiO2-NZ took place spontaneously with Gibbs free energy (ΔG), enthalpy (ΔH), and entropy (ΔS) values of -1.109 kJ/mol, -38.687 kJ/mol, and -12.402 kJ/mol, respectively.
{"title":"Thermodynamics and kinetic studies of methyl orange dye adsorption in magnetic material-silica-zeolite (MM-Sio2-NZ) composite","authors":"A. Armid, Fahmiati Fahmiati, H. Ritonga, Darwin Ismail, L. Ramadhan","doi":"10.29303/aca.v6i2.159","DOIUrl":"https://doi.org/10.29303/aca.v6i2.159","url":null,"abstract":"Using methyl orange (MO) in dye industries can cause the accumulation of MO waste in aquatic systems, including seawater. A magnetic material-silica-zeolite (MM-SiO2-NZ) composite was investigated in vitro to adsorb methyl orange (MO) dye. MM-SiO2-NZ composite was characterized using FTIR, XRF, and VSM. Adsorption studies with pH, concentration, contact time, and temperature variations were carried out to determine the adsorption capacity. The MM-SiO2-NZ characterization results by FTIR showed the presence of OH groups from Fe-OH, Si-OH, and Al-OH, and there were Fe-O, Si-O, Al-O, Si-O-Si, and Si-O-Fe groups. The results of XRF characterization showed that the metal oxide content of Fe2O3 in magnetic material (MM) was 75.39% and decreased to 52.63% after the MM-SiO2-NZ composite was formed. The characterization using VSM indicated the magnetic properties of MM to be 44.083 emu/g, then decreased to 11.407 emu/g after being composited. The adsorption of MM-SiO2-NZ tends to follow the Langmuir adsorption isotherm with a Langmuir constant (KL) value of 1.332 L/mg. Furthermore, the adsorption kinetics followed the pseudo-second-order kinetics with a constant value (k2) of 3×10-2 g.mg/min. MO dye adsorption by MM-SiO2-NZ took place spontaneously with Gibbs free energy (ΔG), enthalpy (ΔH), and entropy (ΔS) values of -1.109 kJ/mol, -38.687 kJ/mol, and -12.402 kJ/mol, respectively.","PeriodicalId":7071,"journal":{"name":"Acta Chimica Asiana","volume":"2013 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86248260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study aimed to separate the synthesized alkyldiethanolamide from kernel oil Calophyllum inophyllum (Local name: Nyamplung) using High-Performance Liquid Chromatography (HPLC). HPLC column utilized was SGE ODS-2 reverse phase and UV detector 213 nm. The variables to obtain the optimum conditions for separating alkyldiethanolamide were mobile phase and flow rate. The mobile phase composition and the optimum separation flow rate obtained acetonitrile: water (90:10) and 1.5 mL/minute, respectively. The percentage compositions of amide fatty acids that had been successfully synthesized based on HPLC were linoleoyl diethanolamide (46-49%), oleoyl diethanolamide (27-29%), palmitoyl diethanolamide (11-14%), and stearoyl diethanolamide (9-11%).
{"title":"The separation of alkyldiethanolamide based on Kernel oil of Calophyllum inophillum fruit using High-Performance Liquid Chromatography","authors":"Masrori Iqbal, D. Suhendra, Erin Ryantin Gunawan","doi":"10.29303/aca.v5i1.78","DOIUrl":"https://doi.org/10.29303/aca.v5i1.78","url":null,"abstract":"This study aimed to separate the synthesized alkyldiethanolamide from kernel oil Calophyllum inophyllum (Local name: Nyamplung) using High-Performance Liquid Chromatography (HPLC). HPLC column utilized was SGE ODS-2 reverse phase and UV detector 213 nm. The variables to obtain the optimum conditions for separating alkyldiethanolamide were mobile phase and flow rate. The mobile phase composition and the optimum separation flow rate obtained acetonitrile: water (90:10) and 1.5 mL/minute, respectively. The percentage compositions of amide fatty acids that had been successfully synthesized based on HPLC were linoleoyl diethanolamide (46-49%), oleoyl diethanolamide (27-29%), palmitoyl diethanolamide (11-14%), and stearoyl diethanolamide (9-11%).","PeriodicalId":7071,"journal":{"name":"Acta Chimica Asiana","volume":"131 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86359691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This research is motivated by the depletion of energy reserves while the need continues to grow. Biodiesel is an alternative fuel that is produced from vegetable oil, animal fat, waste oil, and so on. This study aims to determine the best transesterification treatment variable and also determine the most influential main effect using the 2 level 3 factorial design method. operating time of 50 minutes and 70 minutes. The best transesterification conditions were found in the 8th variable with the addition of 4% (w/w) CaO catalyst, 70 minutes of transesterification time, and 70 oC operating temperature. The biodiesel characteristics obtained were viscosity value 4.8908 cSt, density 853.2 kg/m3 , the yield was 78.1%, and the cetane number was 39. The most influential effect was the percentage of catalyst.
{"title":"Utilization of Waste Shells as Cao Catalyst in Biodiesel Production from Used Cooking Oil","authors":"Umei Latifah Azzahro, W. Broto","doi":"10.29303/aca.v5i1.69","DOIUrl":"https://doi.org/10.29303/aca.v5i1.69","url":null,"abstract":"This research is motivated by the depletion of energy reserves while the need continues to grow. Biodiesel is an alternative fuel that is produced from vegetable oil, animal fat, waste oil, and so on. This study aims to determine the best transesterification treatment variable and also determine the most influential main effect using the 2 level 3 factorial design method. operating time of 50 minutes and 70 minutes. The best transesterification conditions were found in the 8th variable with the addition of 4% (w/w) CaO catalyst, 70 minutes of transesterification time, and 70 oC operating temperature. The biodiesel characteristics obtained were viscosity value 4.8908 cSt, density 853.2 kg/m3 , the yield was 78.1%, and the cetane number was 39. The most influential effect was the percentage of catalyst.","PeriodicalId":7071,"journal":{"name":"Acta Chimica Asiana","volume":"32 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84237136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Research has been carried out to identify the essential oil components of cinnamon bark (Cinnamomum burmannii) which will be used in the manufacture of face creams and to test its inhibition against Staphylococcus aureus bacteria. Cinnamon bark essential oil was separated by steam distillation method. The essential oils obtained were identified by gas chromatography-mass spectroscopy (GC-MS) and infrared spectra. The GC-MS chromatogram of cinnamon bark essential oil yielded 3 peaks. The compound that has the largest retention time and concentration is 1,3 octadien-3-ol (linalool). Analysis of absorption data in the infrared spectrum resulted in 3 specific bonds, namely C=O (aldehyde), C=C (aliphatic), and C=N (imin) groups. The results of the formulation and characteristic test of cinnamon bark essential oil cream, all formulations met the National Standard, namely pH 7, adhesion 28.61 seconds, spreadability of 6.1 cm. Inhibition against Staphylococcus aureus was tested using the diffusion method. The greatest inhibitory power was found at a concentration of 15% with a clear zone formed of 2.15 mm.
{"title":"Cinnamon (Cinnamomum burmannii) Bark Essential Oil as Raw Material for Skin Cream and Anti-Bacterial","authors":"Sandra Lewa, S. Gugule","doi":"10.29303/aca.v5i1.80","DOIUrl":"https://doi.org/10.29303/aca.v5i1.80","url":null,"abstract":"Research has been carried out to identify the essential oil components of cinnamon bark (Cinnamomum burmannii) which will be used in the manufacture of face creams and to test its inhibition against Staphylococcus aureus bacteria. Cinnamon bark essential oil was separated by steam distillation method. The essential oils obtained were identified by gas chromatography-mass spectroscopy (GC-MS) and infrared spectra. The GC-MS chromatogram of cinnamon bark essential oil yielded 3 peaks. The compound that has the largest retention time and concentration is 1,3 octadien-3-ol (linalool). Analysis of absorption data in the infrared spectrum resulted in 3 specific bonds, namely C=O (aldehyde), C=C (aliphatic), and C=N (imin) groups. The results of the formulation and characteristic test of cinnamon bark essential oil cream, all formulations met the National Standard, namely pH 7, adhesion 28.61 seconds, spreadability of 6.1 cm. Inhibition against Staphylococcus aureus was tested using the diffusion method. The greatest inhibitory power was found at a concentration of 15% with a clear zone formed of 2.15 mm.","PeriodicalId":7071,"journal":{"name":"Acta Chimica Asiana","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73973587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This research aims to study the reaction kinetics of gas formation in the pyrolysis of styrofoam waste. Pyrolysis of styrofoam waste without a catalyst takes place at a constant temperature of 180°C. In contrast, the pyrolysis of styrofoam waste by adding a zeolite catalyst took place at a constant temperature of 170°C. The amount of styrofoam waste used in this research sample is 200 grams, and the natural zeolite catalyst is 5 grams. Pyrolysis of styrofoam waste without using a catalyst form a gas at a constant temperature of 180°C, the kinetics of the reaction takes place on the zero-order. This result follows the Arrhenius equation K = Ae10617/RT with an activation energy value (Ea) of 1.27x103 kJ.mol-1. Pyrolysis of styrofoam waste by adding a zeolite catalyst to gas formation at a constant temperature of 170°C also takes place on the zero-order. The equation follows Arrhenius K= Ae4711,5/RT and the activation energy value (Ea) is 5.66x102 kJ.mol-1.
{"title":"Kinetic Study of Gas Formation in Styrofoam Pyrolysis Process","authors":"I. Anom","doi":"10.29303/aca.v4i2.76","DOIUrl":"https://doi.org/10.29303/aca.v4i2.76","url":null,"abstract":"This research aims to study the reaction kinetics of gas formation in the pyrolysis of styrofoam waste. Pyrolysis of styrofoam waste without a catalyst takes place at a constant temperature of 180°C. In contrast, the pyrolysis of styrofoam waste by adding a zeolite catalyst took place at a constant temperature of 170°C. The amount of styrofoam waste used in this research sample is 200 grams, and the natural zeolite catalyst is 5 grams. Pyrolysis of styrofoam waste without using a catalyst form a gas at a constant temperature of 180°C, the kinetics of the reaction takes place on the zero-order. This result follows the Arrhenius equation K = Ae10617/RT with an activation energy value (Ea) of 1.27x103 kJ.mol-1. Pyrolysis of styrofoam waste by adding a zeolite catalyst to gas formation at a constant temperature of 170°C also takes place on the zero-order. The equation follows Arrhenius K= Ae4711,5/RT and the activation energy value (Ea) is 5.66x102 kJ.mol-1.","PeriodicalId":7071,"journal":{"name":"Acta Chimica Asiana","volume":"19 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85489075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Baiq Ressa Puspita Rizma, Yek Zen Mubarok, Dian Fathita Dwi Lestari, A. D. Ananto
Rapid transmission of COVID-19 disease and the fatal effects of the disease lead researchers to use various way to find potential anti-COVID-19 compounds, including using modern approaches. Molecular docking is one of the methods that can be used to analyse antiviral compounds and its molecular target from Indonesian herbs that are believed to have properties as anti-COVID-19. This study aims to analyse antiviral compounds from 5 herbs that have the potential as inhibitors of PLpro and 3CLpro, which both are a non-structural protein in SARS-CoV-2 by molecular docking approach using PLANTS. Remdesivir triphosphate, the active metabolite of remdesivir, was used as the comparison compound in studies. The results showed docking scores obtained from interactions between natural ligands, remdesivir trifospat, curcumin, demetoksikurkumin, bisdemetoksikurkumin, luteolin, apigenin, kuersetin, kaempferol, formononrtin-7-O-glucoronide, androgafolide, and neoandrogafolide with PLpro are as follows -111,441, -103,827, -103,609, -102,363, -100,27,-79,6655, -78.6901, -80.9337, -79.4686, -82.1124, -79.1789, and -97.2452.Combination between quercetin, neoandrographolide, bisdemethoxycurcumin, demetoxycurcumin, and curcumin showed a synergy effect by reduce its docking score. Meanwhile its interaction with the protein 3CLpro showed docking score for those compounds as follows 64.0074, -86.1811, -81.428, -87.1625, -78.2899, -73.4345,-70,3368, -71.5539, -68.4321, -72.0154, -75.9777 and -93.7746.Combination between andrographolide, neoandrographolide, bisdemethoxycurcumin, demetoxycurcumin and curcumin, also shows synegy effect in 3CLpro allow them to reduce the docking score.This study concludes that curcumin was known as the most potent compound that act as a PLpro inhibitor based on a docking score of -103,609, while in 3CLpro all the compound have a potential to inhibit 3CLpro with demethosxycurcumin and neoandrogafolide as the most potent compound with a docking score -87,126 and -93.7746.
COVID-19疾病的快速传播和疾病的致命影响促使研究人员使用各种方法寻找潜在的抗COVID-19化合物，包括使用现代方法。分子对接是一种方法，可用于分析来自印度尼西亚草药的抗病毒化合物及其分子靶点，这些草药被认为具有抗covid -19的特性。本研究旨在利用植物分子对接方法，分析5种草药中具有抑制SARS-CoV-2非结构蛋白PLpro和3CLpro的抗病毒化合物。瑞德西韦的活性代谢物三磷酸瑞德西韦被用作研究中的比较化合物。结果表明，天然配体、雷姆德西韦三ospat、姜黄素、去美托克西库明、双去美托克库明、木犀草素、芹菜素、库尔丁素、山奈酚、刺芒诺丁-7- o -葡萄糖糖苷、雄激素甲苷、新雄激素甲苷与PLpro相互作用的对接得分分别为-111,441、-103,827、-103,609、-102,363、-100、27、-79、6655、-78.6901、-80.9337、-79.4686、-82.1124、-79.1789、-97.2452。槲皮素与新穿心术内酯、双去甲氧基姜黄素、去甲氧基姜黄素和姜黄素联合使用，通过降低对接评分，表现出协同效应。与3CLpro蛋白相互作用的对接分数分别为64.0074、-86.1811、-81.428、-87.1625、-78.2899、-73.4345、-70、3368、-71.5539、-68.4321、-72.0154、-75.9777和-93.7746。穿心莲内酯、新穿心莲内酯、双去甲氧基姜黄素、去甲氧基姜黄素和姜黄素在3CLpro中也表现出协同作用，降低对接评分。本研究得出结论，姜黄素是已知的作为PLpro抑制剂最有效的化合物，其对接评分为-103,609，而在3CLpro中，所有化合物都有抑制3CLpro的潜力，其中去甲氧基姜黄素和新雄激素内酯是最有效的化合物，其对接评分为-87,126和-93.7746。
{"title":"Molecular Study of Antiviral Compound of Indonesian Herbal Medicine as 3CLpro and PLpro Inhibitor in SARS-COV-2","authors":"Baiq Ressa Puspita Rizma, Yek Zen Mubarok, Dian Fathita Dwi Lestari, A. D. Ananto","doi":"10.29303/aca.v4i2.74","DOIUrl":"https://doi.org/10.29303/aca.v4i2.74","url":null,"abstract":"Rapid transmission of COVID-19 disease and the fatal effects of the disease lead researchers to use various way to find potential anti-COVID-19 compounds, including using modern approaches. Molecular docking is one of the methods that can be used to analyse antiviral compounds and its molecular target from Indonesian herbs that are believed to have properties as anti-COVID-19. This study aims to analyse antiviral compounds from 5 herbs that have the potential as inhibitors of PLpro and 3CLpro, which both are a non-structural protein in SARS-CoV-2 by molecular docking approach using PLANTS. Remdesivir triphosphate, the active metabolite of remdesivir, was used as the comparison compound in studies. The results showed docking scores obtained from interactions between natural ligands, remdesivir trifospat, curcumin, demetoksikurkumin, bisdemetoksikurkumin, luteolin, apigenin, kuersetin, kaempferol, formononrtin-7-O-glucoronide, androgafolide, and neoandrogafolide with PLpro are as follows -111,441, -103,827, -103,609, -102,363, -100,27,-79,6655, -78.6901, -80.9337, -79.4686, -82.1124, -79.1789, and -97.2452.Combination between quercetin, neoandrographolide, bisdemethoxycurcumin, demetoxycurcumin, and curcumin showed a synergy effect by reduce its docking score. Meanwhile its interaction with the protein 3CLpro showed docking score for those compounds as follows 64.0074, -86.1811, -81.428, -87.1625, -78.2899, -73.4345,-70,3368, -71.5539, -68.4321, -72.0154, -75.9777 and -93.7746.Combination between andrographolide, neoandrographolide, bisdemethoxycurcumin, demetoxycurcumin and curcumin, also shows synegy effect in 3CLpro allow them to reduce the docking score.This study concludes that curcumin was known as the most potent compound that act as a PLpro inhibitor based on a docking score of -103,609, while in 3CLpro all the compound have a potential to inhibit 3CLpro with demethosxycurcumin and neoandrogafolide as the most potent compound with a docking score -87,126 and -93.7746.","PeriodicalId":7071,"journal":{"name":"Acta Chimica Asiana","volume":"28 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85928799","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Devi Ayu Septiani, Jono Irawan, H. Hermansyah, Y. Andayani
The Melala is a tradition of the Sumbawa people who use coconut milk to obtain Sumbawa oil for traditional medicine. Coconut milk is a colloidal system of stable oil in water (O/W) microemulsion. Within a particular time, the emulsion will split to produce oil (VCO), protein, and water due to the colloid equilibrium on the stability of the coconut milk emulsion. The purpose of this study was to compare the microemulsion stability of the coconut milk colloid system. The VCO was isolated by heating, enzymatically, acidifying, and adding whiting methods for comparison. The physical stability of the O/W microemulsion was measured by the volume of VCO produced from various isolation methods in simple laboratory experiments. The results showed that the physical stability of the O/W microemulsion on VCO isolation by enzymatic method using papain enzyme was the least.
{"title":"Microemulsion Stability of Virgin Coconut Oil Based on Tradition of Melala Sumbawa's Society","authors":"Devi Ayu Septiani, Jono Irawan, H. Hermansyah, Y. Andayani","doi":"10.29303/aca.v4i2.75","DOIUrl":"https://doi.org/10.29303/aca.v4i2.75","url":null,"abstract":"The Melala is a tradition of the Sumbawa people who use coconut milk to obtain Sumbawa oil for traditional medicine. Coconut milk is a colloidal system of stable oil in water (O/W) microemulsion. Within a particular time, the emulsion will split to produce oil (VCO), protein, and water due to the colloid equilibrium on the stability of the coconut milk emulsion. The purpose of this study was to compare the microemulsion stability of the coconut milk colloid system. The VCO was isolated by heating, enzymatically, acidifying, and adding whiting methods for comparison. The physical stability of the O/W microemulsion was measured by the volume of VCO produced from various isolation methods in simple laboratory experiments. The results showed that the physical stability of the O/W microemulsion on VCO isolation by enzymatic method using papain enzyme was the least.","PeriodicalId":7071,"journal":{"name":"Acta Chimica Asiana","volume":"58 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85175071","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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