A Review of Theoretical Approach to Sweetness in Chemical Compounds

The relationship between humans and the sweet sensation is a challenge in itself. The concept of taste undergoes dynamic transformations throughout human civilization, reflecting individuals evolving preferences and experiences. Taste, as an experiential phenomenon, intricately involves the physiological aspects of the human body, with a direct correlation to signal transmission within the brain. The primary objective of this study is to unravel the chemical characteristics that contribute to the generation of sweet flavours. The research investigates the complex interplay between chemical structures and taste perception by utilizing a comprehensive review of literature from diverse sources, including books and scholarly articles from various publishers. Various analytical techniques, such as ligand-based glucophore modeling, quantitative structure-activity relationships, and the prediction and discovery of sweet receptors, are employed to understand the effects of chemical structures on sweetness. By exploring how the chemical composition of substances influences taste, this research aims to provide valuable insights into the molecular foundations of flavour, advancing our understanding of the complexities that underlie the human gustatory experience.   Submitted: 27-08-2024, Revised: 29-10-2024, Accepted: 24-12-2024, Published regularly: December 202

STUDI INTERAKSI SENYAWA BAKU PEMBANDING DARI ANDALAS SITAWA FITOLAB TERHADAP KLEBSIELLA PNEUMONIAE DENGAN IN SILICO

Bakteri, virus dan mycoplasma dapat menyebabkan pneumonia. Klebsiella pneumoniae adalah penyebab umum infeksi resisten antimikroba pada pasien rawat inap. Miroba ini secara alami resisten terhadap penisilin. Pnemoniae dapat disebabkan oleh bakteri, virus dan mycoplasma. Bakteri Klebsiella pneumoniae mampu menginfeksi dan memperparah pasien yang terkena penyakit COVID-19. Bakteri ini telah resisten terhadap antibiotik. Dilakukan metode molecular docking untuk memprediksi interaksi antara klebsiella pneumoniae dan senyawa bahan alam yang terdapat pada database andalas sitawa yaitu Alpha Mangostin, Andrographolide, Asiaticoside, Catechin. Curcumin, Deoxyelephantopin, Ethyl methoxycinnamate, Hydroxychavicol, Piperine dan Plumbagin. Perangkat lunak yang digunakan dalam simulasi yaitu Autodock Vina. Optimasi geometri dilakukan dengan MMFF94 untuk senyawa bahan alam. Dari hasil diperoleh senyawa yang memiliki energi bebas gibbs yang terbaik adalah Asiaticoside dengan energi -10.22 (kcal/mol). Asiaticoside memiliki interaksi pada asam amino yaitu Ikatan Hidrogen pada asam amino Asn79, Arg151 selanjutnya Ikatan Van der walls pada Ile152, Met156, dan Ser156. Ikatan Pi-Alkyl pada asam amino Tyr125, His195 dan ikatan Alkyl pada asam amino Arg155. Simulasi dinamika molekul senyawa Asitiacoside dengan protein fluktuasi terbesar pada residu asam amino 245-248 yaitu Leusine, Tyrosine, Phenylalanine, dan Glutamine dengan rentang fluktuasi 3,2169-3,2525 n

Edukasi Titik Kritis Kehalalan Produk Pangan, Kosmetik, dan Obat-Obatan Menggunakan Flowchart pada Siswa Sekolah Menengah Analis Kimia (SMAKPA) Padang

Halal products are crucial for consumers. In Islam, halal and wholesome food consumption is vital for maintaining physical and spiritual well-being. The Indonesian government mandates halal product certification by Law No. 33 of 2014 on Halal Product Assurance. The critical points in determining the halal status of a product refer to processes or ingredients in its production that may potentially involve, contain, or mix with haram substances. Nevertheless, many students lack a clear understanding of halal and haram principles. This knowledge is essential to help students avoid using forbidden ingredients in Islamic teachings. Padang Chemical Analyst High School (SMAKPA) students are the targets of this service because vocational school students must have work-ready skills. Before the education session, a pre-test was conducted to assess the student's understanding of the material presentation. Education was delivered using a flowchart to enhance engagement and comprehension. The content encompasses the concepts of halal and haram in Islam, the responsible parties for halal certification, halal logos, and the analysis of critical points in the halal status of food, cosmetics, and medications. Following the material presentation, a post-test was administered, followed by a question and answer session to evaluate the students' understanding. Pre-tests and post-tests were employed to assess student comprehension, with pre-test scores averaging 99 and post-test scores at 99.5. Through this educational initiative, students gain a comprehensive understanding of the Critical Points of Halal Status in Food, Cosmetics, and Medications using a flowchar

Extended emphysematous aortitis of the ascending aorta: An unusual fatal presentation of aortic valve endocarditis due to Clostridium Septicum

N/

Enterobacter hormaechei: an endophytic bacterium found in Avocado Peel (Persea americana Mill.) with antioxidant properties

Avocado peels (AVP) are renowned for their potent antioxidant properties, making them highly effective in preventing oxidation and free radical formation. Endophytes, microorganisms residing within plant tissues, have demonstrated the ability to produce novel compounds with remarkable biological activities. These bioactive compounds are sometimes even more potent than those found in their host plants. This study explores the potential of endophytes from avocado peels as rich sources of antioxidant compounds. AVP samples are collected, surface-sterilized, and segmented before being cultured in growth media. The bacteria are then isolated, purified, and subjected to ethyl acetate extraction to evaluate their antioxidant activity using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) microassay. Samples demonstrating favorable antioxidant properties undergo molecular identification through 16S rRNA gene sequencing. Four bacterial strains are successfully isolated, with only the APK4 strain exhibiting significant antioxidant activity with an IC50 value of 302.3 μg/mL. Molecular analysis and phylogenetic tree construction reveal that APK4 is closely related to the Enterobacter hormaechei species, with a percent identity value of 99.93%. These findings highlight the potential of active metabolites from endophytic bacteria in AVP extracts as promising lead compounds for the development of novel drugs, nutraceuticals, and cosmetic ingredients

Enterobacter hormaechei: an endophytic bacterium found in Avocado Peel (Persea americana Mill.) with antioxidant properties

Avocado peels (AVP) are renowned for their potent antioxidant properties, making them highly effective in preventing oxidation and free radical formation. Endophytes, microorganisms residing within plant tissues, have demonstrated the ability to produce novel compounds with remarkable biological activities. These bioactive compounds are sometimes even more potent than those found in their host plants. This study explores the potential of endophytes from avocado peels as rich sources of antioxidant compounds. AVP samples are collected, surface-sterilized, and segmented before being cultured in growth media. The bacteria are then isolated, purified, and subjected to ethyl acetate extraction to evaluate their antioxidant activity using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) microassay. Samples demonstrating favorable antioxidant properties undergo molecular identification through 16S rRNA gene sequencing. Four bacterial strains are successfully isolated, with only the APK4 strain exhibiting significant antioxidant activity with an IC50 value of 302.3 μg/mL. Molecular analysis and phylogenetic tree construction reveal that APK4 is closely related to the Enterobacter hormaechei species, with a percent identity value of 99.93%. These findings highlight the potential of active metabolites from endophytic bacteria in AVP extracts as promising lead compounds for the development of novel drugs, nutraceuticals, and cosmetic ingredients

Homology modeling and mutation prediction of ACE2 from COVID-19

SARS-CoV-2 has become a pandemic in the world. The virus binds to the Angiotensin-Converting Enzyme 2 (ACE2) receptor, which is found in epithelial cells such as in the lungs, to generate the pathology of COVID-19. It is essential to analyze the characteristics of ACE2 in understanding the development of the disease and study potential new drugs. The analysis was carried out using computer simulations to speed up protein analysis that utilized Artificial Intelligence technology, databases, and big data. Homology modeling is a method to exhibit homologous of protein families, hence the model and arrangement of protein sequences modeled are established. This research aims to determine the possibility of mutations in ACE2 by performing the mutation prediction. The result shows reliable homologous modeling with the score of GA341, MPQS, Z-DOPE, and TSVMod NO35 were 1; 1.28252; -0.47; and 0.793, respectively. Moreover, Gene Ontology (GO) analysis describes that ACE2 has a molecular transport function in cells while there are no mutations found occurred in ACE2 analyzed using SIFT and PROVEAN.

Computational investigation of Pluchea indica mechanism targeting peroxisome proliferator-activated receptor gamma

Introduction: Pluchea indica is known to have diverse pharmacological properties, including anti-inflammatory, antioxidant, antimicrobial, and anticancer activities. However, there is a pressing need to thoroughly investigate the molecular interactions between P. indica compounds and peroxisome proliferator-activated receptor gamma (PPARG). This study aimed to elucidate the molecular mechanisms behind P. indica and PPARG, and its potential implications for diabetes mellitus. Methods: The computational investigation employed Pharmacological Network pharmacology, homology modeling, deep learning docking, and molecular dynamics to explore the active compounds and targets within P. indica against the PPARG. Results: Three active compounds were identified namely pinoresinol, syringaresinol, and plucheoside A, all of which complied with the Lipinski rule of five. The deep learning-based pose scores were determined as follows: Pinoresinol 0.55, syringaresinol 0.32, and plucheoside A 0.44. Additionally, protein-protein interactions were observed with PPARG and associated with the PPAR signaling pathway. Molecular dynamics simulation analysis showed the stability of the three compounds over a 100 ns period. Free energy calculations using Molecular Mechanics- Generalized Born and Surface Area (MM-GBSA) yielded ΔG values of -44.39 kcal/mol, -51.83 kcal/mol, and -40.27 kcal/mol for pinoresinol, syringaresinol, and plucheoside A, respectively. Conclusion: Pluchea indica might be developed to treat various diseases, particularly those involving the PPARG signaling pathway. It suggests the possibility of being developed as a focused medication for diabetes