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Revealing Potency of Bioactive Compounds as Inhibitor of Dengue Virus (DENV) NS2B/NS3 Protease from Sweet Potato (Ipomoea batatas L.) Leaves
No full texthis study aims to identify the potency of bioactive compounds of sweet potato leaf as inhibitory agent
to dengue virus (DENV) NS2B/NS3 protease by using computational study. The 3D structure of NS2B/
NS3 protease was collected from PDB and the 2D structure of several bioactive compounds of sweet
potato leaf were obtained from PubChem. The visualization and data analysis were performed by using
the PyMol software. According to the in silico analysis, result demonstrated that dehydroabietinol had the
lowest free energy binding. However, based on the protein-ligand analysis, all the compounds showed the
hydrogen bond and hydrophobic interaction. All the compounds with hydrogen bond could not be interacted
with catalytic domain, but hydrophobic interaction could be interacted to the target domain via Ser135 by
?-Selinene and His51 by ?-Caryophyllene. In summary, we conclude that ?-Selinene and ?-Caryophyllene
might have potencies as a therapeutically drug for dengue
Construction of Epitope-Based Peptide Vaccine Against SARS-CoV-2: Immunoinformatics Study
No full textRecently, a novel coronavirus (SARS-CoV-2) appeared which is conscientious for the current outbreak
in China and rapidly spread worldwide. Unluckily, there is no approved vaccine found against SARSCoV-2. Therefore, there is an urgent need for designing a suitable peptide vaccine constituent against
the SARS-CoV-2. In this study, we characterized the spike glycoprotein of SARS-CoV-2 to obtain
immunogenic epitopes. In addition, we used 58 SARS-CoV-2 isolates were retrieved from the Global
Initiative on Sharing All Influenza Data (GISAID) and National Center for Biotechnology Information
(NCBI), then aligned to obtain the conserved region of SARS-CoV-2 spike glycoprotein. The interaction
between the conserved region with ACE2 receptor, a SARS-CoV-2 receptor on the host cell, has been
evaluated through molecular docking approach. The B-cell epitope was identified using the immune
epitope database (IEDB) web server. Interestingly, we recommend Pep_4 ADHQPQTFVNTELH as a
epitope-based peptide vaccine candidate to deal with the SARS-CoV-2 outbreak. Pep_4 has a high level
of immunogenicity and does not trigger autoimmune mechanisms. Pep_4 is capable of forming BCR/
Fab molecular complexes with the lowest binding energy for activation of transduction signal the direct
B-cell immune response. However, further study is suggested for confirmation (in vitro and in vivo)
Potential of Zingiber officinale bioactive compounds as inhibitory agent against the IKK-B
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Edible Bird’s Nest as Potential Food with Anti-Viral and Anti-Inflammatory Properties Against Covid-19: an in Silico Study
Get PDFThe Chinese believe consuming edible bird’s nests (EBN) can increase immunity to various diseases, including Covid-19. This study attempts to identify SARS COV-2-specific anti-viral and anti-inflammatory agents of EBN. We gathered samples from PubChem and Protein Data Bank (PDB). Afterwards, drug likeness was examined using the Lipinski model from the SCFBIO online service. The PASS web server analyzed the bioactive likelihood of chemicals found in EBN. Using PyRx 0.8 software with the blind docking technique. The PoseView web server and PyMol v2.4.1 software were utilized to ascertain molecular interactions. The in silico results show the potential of EBN as food therapy for Covid-19 sufferers, which is indicated by the presence of bioactive compounds from edible bird’s nest consisting of 9-O-acetylated GD3, glycopeptide, N-acetyl neuraminic acid, N-glycolyl-neuraminic acid, sialic acid, and tetra acetyl-thymol-beta-D-glucoside. These bio compounds are predicted to work as anti-viral and anti-inflammatory candidates against SARS-COV-2
New Perspectives on Reverse Translation: Brief History and Updates
Get PDFSince the 1950s, reverse translation has been an enigmatic part of Crick’s central dogma of molecular
biology. It might be described as the possibility to back-translate information from proteins to nucleic
acids (or codons). A few studies have attempted to theorize and/or conduct in vitro experiments to test
the likelihood of reverse translation, with ideas often involving the creation of peptide recognition sites
that bridge the peptide and the codon. However, due to many constraints including an asymmetrical
informational transfer, the stability of protein-peptide bonds, the structural non-uniformity of protein
R-groups, and the informational loss in post-translational protein modifications, this concept requires
follow-up studies. On the other hand, current bioinformatic tools that rely on computational programs
and biological databases represent a growing branch of biology. Bioinformatics-based reverse translation
can utilize codon usage tables to predict codons from their peptide counterparts. In addition, the
development of machine learning tools may allow for the exploration of biological reverse translation
in vitro. Thus, while in vivo reverse translation appears to be nearly impossible (due to biological
complexity), related biological and bioinformatics studies might be useful to understand better the
central dogma’s informational transfer and to develop more complex biological machinery
Going Beyond Counting First Authors in Author Co-citation Analysis
Get PDFThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
The exploration of medicinal plants’ phytochemical compounds as potential inhibitor against human α-3 nicotinic acetylcholine receptors: The insight from computational study
No full textCytotoxic and Computational Profiling of 20 Indole Alkaloids Across Five Breast Cancer Cell Lines
No full textIndole alkaloids are a structurally diverse class of natural compounds known for their potent anticancer properties, including the ability to induce apoptosis and inhibit cell proliferation and metastasis. This study aimed to evaluate the cytotoxic potential of 20 indole alkaloids against breast cancer cell lines, investigate their molecular interactions with five key cancer-related proteins (Bcl-2, Caspase-3, CDK4, NF-κB, and MMP-9), and assess their pharmacokinetic and toxicity profiles. Cytotoxicity was tested using the MTT assay across five breast cancer cell lines: MCF-7, T47D, MDA-MB-231, BT-474, and 4T1. Vincristine exhibited the most potent cytotoxicity (IC₅₀: 0.05–0.10 µM), followed by vinblastine and camptothecin. Triple-negative breast cancer (TNBC) cells demonstrated higher resistance compared to luminal subtypes, indicating subtype-specific drug responses. Structure–activity relationship analysis revealed that the presence of lactone rings and hydrophobic side chains enhanced cytotoxic activity. Molecular docking using AutoDock 4.2 identified irinotecan, sanguinarine, and piperine as top binders, with binding affinities ranging from –8.5 to –10.9 kcal/mol. Molecular dynamics simulations confirmed the stability of ligand–target interactions (RMSF < 3 Å). ADMET predictions using SwissADME and pkCSM indicated that all three compounds possessed favorable drug-like properties and high gastrointestinal absorption, though sanguinarine and piperine showed potential mutagenicity or carcinogenicity. The integrated in vitro and in silico approach supports the further exploration of irinotecan, sanguinarine, and piperine as promising multi-target anticancer agents. Notably, tylophorine and vincristine also emerged as potent candidates with favorable pharmacological profiles, warranting further preclinical validation for breast cancer therapy
Variations on the Author
Get PDF“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
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