Pineapple [Ananas comosus (L.) Merr.] has long been recognized as a source of bioactive compounds... more Pineapple [Ananas comosus (L.) Merr.] has long been recognized as a source of bioactive compounds that are frequently used in health and wellness products. The benefits of pineapple, among others, include immunomodulatory and anti-inflammatory properties. This study aimed at evaluating the potential of phytochemical compounds in pineapple peel as immunomodulators and anti-inflammatory agents using an in silico approach. The phytochemical of the pineapple peel’s n-hexane extract was analyzed using GC-MS (gas chromatography–mass spectrometry). The analysis of biological activities of the phytochemicals was performed using the PASS Online webserver. Computational toxicity estimation was performed using the ProTox II webserver. The drug-likeness of the compounds was analyzed using Lipinski’s rule of five. Additionally, molecular docking of selected phytochemicals against the NLRP3 inflammasome was performed. The results suggested the presence of phytochemicals with immunomodulatory and ...
Diabetes mellitus is characterized by a deficiency in insulin secretion, insulin action, or both,... more Diabetes mellitus is characterized by a deficiency in insulin secretion, insulin action, or both, resulting in a chronic hyperglycemic condition. Recent studies showed that bioactive compounds from plants possess great anti-diabetic activity with less unfavorable side effects. Therefore, our study aims to evaluate several bioactive compounds from Green Gedi, Leilem, and Sesewanua against alpha-amylase and aldose reductase using a molecular docking approach and to assess their pharmacological properties. We used GC-MS to identify bioactive compounds from three species of Indonesian medicinal plants. Identified bioactive compounds along with bioactive compounds from the literature search were used as ligands targeting alpha-amylase and aldose reductase as protein targets using PyRx. The pharmacological evaluations were performed with SwissADME, ADMETlab, and PASS online. We found that ligands used in this study vary in pharmacological properties and had binding energy ranging from -3....
Jurnal Farmasi Medica/Pharmacy Medical Journal (PMJ), 2020
Popularity of bioactive compounds from plants as a treatment for microbial infections have increa... more Popularity of bioactive compounds from plants as a treatment for microbial infections have increased. The content of chemical compounds in cloves can produce various biological activities. The chemical compounds contained in cloves are phenol, flavonoid, hydroxybenzoate, and hydrokinetic acid, with the main chemical compound being eugenol. This review was prepared using secondary data from the scientific literature databases of Google Scholar, PubMed, and CORE. This review aims to collect, compile, study, and highlight the potential of cloves as an antimicrobial agent from existing literature and databases. The effectiveness of cloves in treating microorganisms has a broad spectrum, including bacteria, fungi, protozoa, and viruses. The antimicrobial activity of ethanol, methanol, acetone extract, and clove essential oil provided antimicrobial activity against Gram-positive and Gram-negative bacteria. Cloves show bacteriostatic and bacteriocidic activity with mechanism of action in d...
Methicillin-Resistant Staphylococcus aureus (MRSA) is a hypervirulent multidrugresistant bacteria... more Methicillin-Resistant Staphylococcus aureus (MRSA) is a hypervirulent multidrugresistant bacteria. It is spreading around the globe and starting to be a global health problem. It causes bacteremia, infective endocarditis, and bloodstream infection. PBP2a is a protein responsible for MRSA’s resistance to antibiotics, especially beta-lactams. Tea contains bioactive compounds such as polyphenols. It is known to have great antibacterial activities. Therefore, this study aims to find potentials antibacterial compounds from tea polyphenols that can inhibit PBP2a in MRSA with better binding energy than the currently available drugs using the molecular docking approach. We found that theaflavin (-9,7 kcal/mol), as one of the tea polyphenols compound, has a better binding energy with ceftaroline (9,5 kcal/mol) therefore predicted to have better antibacterial activity. (−)Epigallocatechingallate (-9,1 kcal/mol), (−)-epicatechingallate (-8,8 kcal/mol), myricetin (8,7 kcal/mol), quercetin (-8,5...
Pineapple [Ananas comosus (L.) Merr.] has long been recognized as a source of bioactive compounds... more Pineapple [Ananas comosus (L.) Merr.] has long been recognized as a source of bioactive compounds that are frequently used in health and wellness products. The benefits of pineapple, among others, include immunomodulatory and anti-inflammatory properties. This study aimed at evaluating the potential of phytochemical compounds in pineapple peel as immunomodulators and anti-inflammatory agents using an in silico approach. The phytochemical of the pineapple peel’s n-hexane extract was analyzed using GC-MS (gas chromatography–mass spectrometry). The analysis of biological activities of the phytochemicals was performed using the PASS Online webserver. Computational toxicity estimation was performed using the ProTox II webserver. The drug-likeness of the compounds was analyzed using Lipinski’s rule of five. Additionally, molecular docking of selected phytochemicals against the NLRP3 inflammasome was performed. The results suggested the presence of phytochemicals with immunomodulatory and ...
Diabetes mellitus is characterized by a deficiency in insulin secretion, insulin action, or both,... more Diabetes mellitus is characterized by a deficiency in insulin secretion, insulin action, or both, resulting in a chronic hyperglycemic condition. Recent studies showed that bioactive compounds from plants possess great anti-diabetic activity with less unfavorable side effects. Therefore, our study aims to evaluate several bioactive compounds from Green Gedi, Leilem, and Sesewanua against alpha-amylase and aldose reductase using a molecular docking approach and to assess their pharmacological properties. We used GC-MS to identify bioactive compounds from three species of Indonesian medicinal plants. Identified bioactive compounds along with bioactive compounds from the literature search were used as ligands targeting alpha-amylase and aldose reductase as protein targets using PyRx. The pharmacological evaluations were performed with SwissADME, ADMETlab, and PASS online. We found that ligands used in this study vary in pharmacological properties and had binding energy ranging from -3....
Jurnal Farmasi Medica/Pharmacy Medical Journal (PMJ), 2020
Popularity of bioactive compounds from plants as a treatment for microbial infections have increa... more Popularity of bioactive compounds from plants as a treatment for microbial infections have increased. The content of chemical compounds in cloves can produce various biological activities. The chemical compounds contained in cloves are phenol, flavonoid, hydroxybenzoate, and hydrokinetic acid, with the main chemical compound being eugenol. This review was prepared using secondary data from the scientific literature databases of Google Scholar, PubMed, and CORE. This review aims to collect, compile, study, and highlight the potential of cloves as an antimicrobial agent from existing literature and databases. The effectiveness of cloves in treating microorganisms has a broad spectrum, including bacteria, fungi, protozoa, and viruses. The antimicrobial activity of ethanol, methanol, acetone extract, and clove essential oil provided antimicrobial activity against Gram-positive and Gram-negative bacteria. Cloves show bacteriostatic and bacteriocidic activity with mechanism of action in d...
Methicillin-Resistant Staphylococcus aureus (MRSA) is a hypervirulent multidrugresistant bacteria... more Methicillin-Resistant Staphylococcus aureus (MRSA) is a hypervirulent multidrugresistant bacteria. It is spreading around the globe and starting to be a global health problem. It causes bacteremia, infective endocarditis, and bloodstream infection. PBP2a is a protein responsible for MRSA’s resistance to antibiotics, especially beta-lactams. Tea contains bioactive compounds such as polyphenols. It is known to have great antibacterial activities. Therefore, this study aims to find potentials antibacterial compounds from tea polyphenols that can inhibit PBP2a in MRSA with better binding energy than the currently available drugs using the molecular docking approach. We found that theaflavin (-9,7 kcal/mol), as one of the tea polyphenols compound, has a better binding energy with ceftaroline (9,5 kcal/mol) therefore predicted to have better antibacterial activity. (−)Epigallocatechingallate (-9,1 kcal/mol), (−)-epicatechingallate (-8,8 kcal/mol), myricetin (8,7 kcal/mol), quercetin (-8,5...
Uploads