SEBUAH REVIEW: ANALISIS PROFIL METABOLIT MENGGUNAKAN GC-MS PADA SAMPEL SEREAL DAN MAKANAN KACANG-KACANGAN YANG DIFERMENTASI

Foodmics is one of the technological developments in food processing. Analysis of metabolite profiles in fermented cereal and legume food samples can be analyzed using GC-MS. Analytical aspects of current GC-MS technology to note include high resolution (in GC and MS technology), advances and improvements in the ionization process, reproducible fragmentation patterns (which is an advantage for compound identification) as well as fewer matrix effects. The time of fermentation is one of the main factors in the occurrence of differences in compounds analyzed using GC-MS, the use of computerized analysis such as principal component analysis (PCA) is very helpful when the study has a very large number of variable

Studi In Silico Senyawa Flavonoid dalam Mengambat RNA-dependent RNA polymerase (RdRp) sebagai Antivirus COVID-19

Pada akhir tahun 2019, muncul coronavirus disease 2019 (COVID-19) yang disebabkan oleh severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), yang menjadi ancaman serius bagi kesehatan masyarakat global sampai saat ini. Seiring berjalannya waktu, pengembangan obat repurposing telah menjadi metode yang efektif. Flavonoid, sejenis senyawa, telah dikenal memiliki sifat antivirus. Oleh karena itu, tujuan dari penelitian ini adalah untuk mengidentifikasi lima senyawa flavonoid (Genistein, Daidzein, Glycitein, Formonoetin, dan Biochanin A) yang sudah dikenal memiliki berbagai manfaat farmakologi dalam menghambat aktivitas RdRp SARS-CoV-2. Untuk melakukan analisis, metode molecular docking digunakan dengan menggunakan software AutoDockTools 1.5.6. Prediksi sifat farmakokinetik dan farmakodinamik dilakukan dengan menggunakan SwissADME, sedangkan untuk mengevaluasi toksisitas, digunakan ProTox II. Hasil molecular docking menunjukkan bahwa kelima senyawa flavonoid memiliki hasil yang lebih baik dibandingkan dengan senyawa kontrol positif remdesivir. Selain itu, hasil prediksi sifat farmakokinetik, farmakodinamik, dan toksisitas menunjukkan bahwa Biochanin A, Glycitein, Genistein, dan Formonoetin memiliki potensi terbaik untuk dikembangkan sebagai obat antivirus COVID-19 dengan kemampuan mengikat reseptor RdRp dengan PDB id. 6M71

Studi In Silico Senyawa Flavonoid dalam Mengambat RNA-dependent RNA polymerase (RdRp) sebagai Antivirus COVID-19

Pada akhir tahun 2019, muncul coronavirus disease 2019 (COVID-19) yang disebabkan oleh severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), yang menjadi ancaman serius bagi kesehatan masyarakat global sampai saat ini. Seiring berjalannya waktu, pengembangan obat repurposing telah menjadi metode yang efektif. Flavonoid, sejenis senyawa, telah dikenal memiliki sifat antivirus. Oleh karena itu, tujuan dari penelitian ini adalah untuk mengidentifikasi lima senyawa flavonoid (Genistein, Daidzein, Glycitein, Formonoetin, dan Biochanin A) yang sudah dikenal memiliki berbagai manfaat farmakologi dalam menghambat aktivitas RdRp SARS-CoV-2. Untuk melakukan analisis, metode molecular docking digunakan dengan menggunakan software AutoDockTools 1.5.6. Prediksi sifat farmakokinetik dan farmakodinamik dilakukan dengan menggunakan SwissADME, sedangkan untuk mengevaluasi toksisitas, digunakan ProTox II. Hasil molecular docking menunjukkan bahwa kelima senyawa flavonoid memiliki hasil yang lebih baik dibandingkan dengan senyawa kontrol positif remdesivir. Selain itu, hasil prediksi sifat farmakokinetik, farmakodinamik, dan toksisitas menunjukkan bahwa Biochanin A, Glycitein, Genistein, dan Formonoetin memiliki potensi terbaik untuk dikembangkan sebagai obat antivirus COVID-19 dengan kemampuan mengikat reseptor RdRp dengan PDB id. 6M71

In Silico Analysis of Phytoestrogens' Neuroprotective Effect on N-methyl-D-aspartate (NMDA) Receptors

cause of death and disability globally. One of the causes is associated with cell signaling disorders, neuronal apoptosis, inflammation, and the deposition of aggregate proteins. The N-methyl-D-aspartate (NMDA) receptor is a glutamate receptor that, when activated, causes synaptic dysfunction and leads to neuronal death. Phytoestrogen compounds are able to replace the role of estrogen in maintaining body homeostasis, including in the CNS. Objectif: This study aims to determine the role of phytoestrogen compounds in inhibiting NMDA activation (1PBQ), which causes neurodegenerative diseases. Methods: The method used is molecular docking with the AutoDockTools 1.5.6 program. The prediction of pharmacokinetic and pharmacodynamic properties used SwissADME, while the toxicity used pkCSM and ProTox II. Results: The results of docking using the 1PBQ protein showed that the compounds α-amyrin, β-amyrin and eudesmin had the best binding potential compared to 17β-estradiol which was the positive control. Pharmacokinetic and pharmacodynamic tests showed that the three compounds had good permeability and strong lipophilicity, so they could penetrate cell membranes, and were not toxic, except for eudesmin, which was included in class IV in the toxicity test using ProTox II. Conclusion : α-amyrin and β-amyrin compounds have the potential to treat neurodegenerative diseases against NMDA receptors (1PBQ)

Optimalisasi Sistem Angkutan Sampah di Kelurahan Pulau Setokok dengan Pemanfaatan Sistem Informasi Geografis (SIG)

The increasing population in Pulau Setokok Village has led to an increase in the waste generation which is not supported by the availability of representative TPS. In addition, the weak waste management system also makes this issue a major problem in the area. One of the important aspects in waste management on Setokok Island is the waste transportation system. The purpose of this study was to determine the location of alternative TPS in Pulau Setokok Village based on SNI No.19-3241-1994, analyze the suitability of the existing TPS in Pulau Setokok Village based on the SNI and optimize the waste transportation system from the existing TPS in Pulau Setokok Village to the nearest TPA with apply Network Analysis GIS. The determination of the recommended location for the TPA in the Pulau Setokok Village in this study was technically determined from the highest score of the feasible zone at the allowance stage, where it was found that the highest score in the allowance stage was 282, covering an area of ​​2.1 Ha, which is relatively in the middle of Setokok Island which is crossed by the Trans Barelang road. The location of the existing TPS on Pulau Setokok is not in the recommended TPA location based on SNI No.19-3241-1994. The length of time for transporting waste using a Dump Truck is 108.6 minutes which is faster than an Arm Roll Truck (173 minutes) for round-trip waste transportation from TPA Punggur – TPA Recommendation of Pulau Setokok – TPA Punggur on the shortest route of 2 times 36.2 km. the use of Arm Roll Truck fuel is more efficient, which is Rp 93,637.33 for 1 trip compared to the Dump Truck (Rp 117,046.67), but the Arm Roll Truck transports less waste than the Dump Truck because of its smaller capacity, which is 7.2 m3 compared to the Dump Trucks of 12 m3

The potential of 12 flavonoid compounds as alzheimer's inhibitors through an in silico approach

Neurodegenerative disorders (NDD) are age-related condition characterized by a progressive decline in brain functions. This condition has influenced more than 8% of the adult population worldwide, predominately with Alzheimer's disease (AD). Currently, NDD treatment is addressed to relieve existing symptoms, so the effective medication is urgently needed. Flavonoids offer remarkable pharmacological properties applicable to be neuroprotective agents. This study aimed to determine the activity of flavonoid compounds against AD by inhibiting acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) receptors. The method utilized molecular docking studies with the AutoDockTools 4.2.6 program. Analysis of pharmacochemical properties were carried out using SwissADME, while pharmacokinetics and toxicity were examined in the pkCSM web server. The results indicated that α- amyrin and pinoresinol were the most potential AChE and MAO- B inhibitor, respectively. The compounds have lower energy binding values, inhibition constants, and high percentage of similarity with amino acid residues in the ligand native. Analysis of the physicochemical and pharmacokinetic properties showed that these two compounds are acceptable to the body and provides no toxicity. This study demonstrated that the compounds α-amyrin and pinoresinol might potential to be therapeutic agent which primarily act to inhibit AChE and MAO- B in AD progression

The potential of 12 flavonoid compounds as alzheimer's inhibitors through an in silico approach

Neurodegenerative disorders (NDD) are age-related condition characterized by a progressive decline in brain functions. This condition has influenced more than 8% of the adult population worldwide, predominately with Alzheimer's disease (AD). Currently, NDD treatment is addressed to relieve existing symptoms, so the effective medication is urgently needed. Flavonoids offer remarkable pharmacological properties applicable to be neuroprotective agents. This study aimed to determine the activity of flavonoid compounds against AD by inhibiting acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) receptors. The method utilized molecular docking studies with the AutoDockTools 4.2.6 program. Analysis of pharmacochemical properties were carried out using SwissADME, while pharmacokinetics and toxicity were examined in the pkCSM web server. The results indicated that α-amyrin and pinoresinol were the most potential AChE and MAO-B inhibitor, respectively. The compounds have lower energy binding values, inhibition constants, and high percentage of similarity with amino acid residues in the ligand native. Analysis of the physicochemical and pharmacokinetic properties showed that these two compounds are acceptable to the body and provides no toxicity. This study demonstrated that the compounds α-amyrin and pinoresinol might potential to be therapeutic agent which primarily act to inhibit AChE and MAO-B in AD progression

The potential of 12 flavonoid compounds as alzheimer's inhibitors through an in silico approach

Neurodegenerative disorders (NDD) are age-related condition characterized by a progressive decline in brain functions. This condition has influenced more than 8% of the adult population worldwide, predominately with Alzheimer's disease (AD). Currently, NDD treatment is addressed to relieve existing symptoms, so the effective medication is urgently needed. Flavonoids offer remarkable pharmacological properties applicable to be neuroprotective agents. This study aimed to determine the activity of flavonoid compounds against AD by inhibiting acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) receptors. The method utilized molecular docking studies with the AutoDockTools 4.2.6 program. Analysis of pharmacochemical properties were carried out using SwissADME, while pharmacokinetics and toxicity were examined in the pkCSM web server. The results indicated that α-amyrin and pinoresinol were the most potential AChE and MAO-B inhibitor, respectively. The compounds have lower energy binding values, inhibition constants, and high percentage of similarity with amino acid residues in the ligand native. Analysis of the physicochemical and pharmacokinetic properties showed that these two compounds are acceptable to the body and provides no toxicity. This study demonstrated that the compounds α-amyrin and pinoresinol might potential to be therapeutic agent which primarily act to inhibit AChE and MAO-B in AD progression

Molecular Docking Estrogen Receptor Alpha Antagonist and P53- MDM2 Inhibitor, ADMET Prediction of Alkaloid Compound from Mitragyna speciosa for Breast Cancer Therapy

Introduction: Breast cancer is one of the major universal health problems affecting more than two million cases per year. Estrogen receptor alpha (ERα) and P53 are common targets for the treatment of breast cancer and are primarily involved in cell proliferation. The function of p53 protein is regulated by direct binding to MDM2 protein. Therefore, inhibition of p53-MDM2 interaction leads to reactivating p53 activity. Alkaloid compounds generally have potential anticancer effect. Alkaloid compound from Mitragyna speciosa have the potential for anticancer. Methods: The method used is molecular docking with AutoDockTools 1.5.6 program. Predict the properties of physicochemical, pharmacokinetic, and toxicity prediction tests (ADMET) using pkCSM. Results: The results showed that speciophylline, corynoxine A, and corynoxine B have the best values in free binding energy (ΔG) for estrogen receptor (ERα) alpha receptor. Meanwhile, mitraphylline, mitrafoline, and corynoxine B have the best values for protein P53. Predict ADMET using the pkCSM, the alkaloid compound has strong lipophilicity and good permeability so it predicts the ability to penetrate intestinal cell membranes and the skin membrane. Spesiofilin, mitraphylline, and mitrafolin are not expected hepatotoxic. Conclusion: Speciophylline and mitraphylline have potential as anticancer drugs through the inhibitory of estrogen receptor alpha and MDM2 reseptor