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Papers by Layli Prasojo
Indonesian Journal of Chemistry
Synthesis and physicochemistry properties prediction of a potential anti-inflammatory agent, diac... more Synthesis and physicochemistry properties prediction of a potential anti-inflammatory agent, diacetyl pentagamavunon-1 (diacetyl PGV-1), has been done. The synthesis was using pentagamavunon-1 (PGV-1) (2,87x10-3 mole) and anhydride acetic acid (26x10-3 mole; 37x10-3 mole; 49x10-3 mole) as starting materials and NaOH ethanolic as a catalyst. The AM1 semiempirical quantum-chemical calculations using the computational chemistry approach was used to predict and compare the physicochemisty properties of diacetyl PGV-1 to PGV-1. Odorless, light-yellow powder has been obtained. The powder was 0.8512-0.9602 g (2.02 x10-3 - 2.22x10-3 mole; 70.4-77.4%) and the purity of the powder was 92.4%. The purity of the product has been examined by high performance liquid chromatography (HPLC), while the structure elucidation has been done using IR (Infra Red), 1H-NMR (Nuclear Magnetic Resonance) and MS (Mass Spectroscopy). The physicochemisty properties prediction showed that diacetyl PGV-1 was more hy...
Indonesian Journal of Chemistry
The docking protocols to virtually screen selective cyclooxygenase-2 (COX-2) ligands using PLANTS... more The docking protocols to virtually screen selective cyclooxygenase-2 (COX-2) ligands using PLANTS docking software were developed and validated. The crystal structure of 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenyl-pyrazole (S58) binds to cyclooxygenase-2 (COX-2) was used as the reference structure. The developed protocols could predict the binding pose of S58 to COX-2 accurately (RMSD is 1.2 Ǻ).
Molecular and Cellular Biomedical Sciences
Lung cancer is the most contributor of cancer cause death in the world. Lung cancer is related to... more Lung cancer is the most contributor of cancer cause death in the world. Lung cancer is related to cigarette consumption and genetic factor. Nicotine derived nitrosamine ketone is the most important inducer of lung cancer associated with DNA Mutations resulting in the activation of Kirsten rat sarcoma viral (KRAS) oncogenes. DNA Mutation in Lung cancer is mostly presence by epidermal growth factor receptor (EGFR) mutations. There were seven potential biomarkers to detect early lung cancer, whereas carcinoembryonic antigen (CEA), neuron specific enolase (NSE), cytokeratin-19 fragments (CYFRA 21-1), alpha-fetoprotein (AFP), cancer antigen 125 (CA-125), CA-199 and ferritin. The use of biomarkers in combination can improve the accuracy in diagnosing lung cancer. Other biomarkers include KRAS mutations, B-type Raf kinase (BRAF) mutation, mesenchymal-epithelial transition factor (MET) amplification and Excision repair cross-complementing group 1 (ERCC1) can be used to see whether there are...
The docking protocols to virtually screen selective cyclooxygenase-2 (COX-2) ligands using PLANTS... more The docking protocols to virtually screen selective cyclooxygenase-2 (COX-2) ligands using PLANTS docking software were developed and validated. The crystal structure of 1-phenylsulfonamide-3-trifluoromethyl-5parabromophenyl-pyrazole (S58) binds to cyclooxygenase-2 (COX-2) was used as the reference structure. The developed protocols could predict the binding pose of S58 to COX-2 accurately (RMSD is 1.2 Ǻ).
Indonesian Journal of Chemistry
Synthesis and physicochemistry properties prediction of a potential anti-inflammatory agent, diac... more Synthesis and physicochemistry properties prediction of a potential anti-inflammatory agent, diacetyl pentagamavunon-1 (diacetyl PGV-1), has been done. The synthesis was using pentagamavunon-1 (PGV-1) (2,87x10-3 mole) and anhydride acetic acid (26x10-3 mole; 37x10-3 mole; 49x10-3 mole) as starting materials and NaOH ethanolic as a catalyst. The AM1 semiempirical quantum-chemical calculations using the computational chemistry approach was used to predict and compare the physicochemisty properties of diacetyl PGV-1 to PGV-1. Odorless, light-yellow powder has been obtained. The powder was 0.8512-0.9602 g (2.02 x10-3 - 2.22x10-3 mole; 70.4-77.4%) and the purity of the powder was 92.4%. The purity of the product has been examined by high performance liquid chromatography (HPLC), while the structure elucidation has been done using IR (Infra Red), 1H-NMR (Nuclear Magnetic Resonance) and MS (Mass Spectroscopy). The physicochemisty properties prediction showed that diacetyl PGV-1 was more hy...
Indonesian Journal of Chemistry
The docking protocols to virtually screen selective cyclooxygenase-2 (COX-2) ligands using PLANTS... more The docking protocols to virtually screen selective cyclooxygenase-2 (COX-2) ligands using PLANTS docking software were developed and validated. The crystal structure of 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenyl-pyrazole (S58) binds to cyclooxygenase-2 (COX-2) was used as the reference structure. The developed protocols could predict the binding pose of S58 to COX-2 accurately (RMSD is 1.2 Ǻ).
Molecular and Cellular Biomedical Sciences
Lung cancer is the most contributor of cancer cause death in the world. Lung cancer is related to... more Lung cancer is the most contributor of cancer cause death in the world. Lung cancer is related to cigarette consumption and genetic factor. Nicotine derived nitrosamine ketone is the most important inducer of lung cancer associated with DNA Mutations resulting in the activation of Kirsten rat sarcoma viral (KRAS) oncogenes. DNA Mutation in Lung cancer is mostly presence by epidermal growth factor receptor (EGFR) mutations. There were seven potential biomarkers to detect early lung cancer, whereas carcinoembryonic antigen (CEA), neuron specific enolase (NSE), cytokeratin-19 fragments (CYFRA 21-1), alpha-fetoprotein (AFP), cancer antigen 125 (CA-125), CA-199 and ferritin. The use of biomarkers in combination can improve the accuracy in diagnosing lung cancer. Other biomarkers include KRAS mutations, B-type Raf kinase (BRAF) mutation, mesenchymal-epithelial transition factor (MET) amplification and Excision repair cross-complementing group 1 (ERCC1) can be used to see whether there are...
The docking protocols to virtually screen selective cyclooxygenase-2 (COX-2) ligands using PLANTS... more The docking protocols to virtually screen selective cyclooxygenase-2 (COX-2) ligands using PLANTS docking software were developed and validated. The crystal structure of 1-phenylsulfonamide-3-trifluoromethyl-5parabromophenyl-pyrazole (S58) binds to cyclooxygenase-2 (COX-2) was used as the reference structure. The developed protocols could predict the binding pose of S58 to COX-2 accurately (RMSD is 1.2 Ǻ).