Search
9 articles for “Homology modeling”
-
Insilico Structural Analysis and Homology Modeling of Crustin Protein from Fiddler Crab Species
Abstract: In terms of biomass and ecological or economic importance, the crustacea are the largest, most noticeable, and possibly, the most significance group of marine or aquatic arthropods. Because of their enormous commercial value and the necessity to prevent disease outbreaks in the shellfish aquaculture industry, decapods are the experimental animals of choice for practically all biological studies involving immune responses. Antimicrobial host-defense peptides (AMPs) are major components of metazoan immunity, …
Published in International Journal of Cheminformatics · Vol. 1, Issue 1, 2023 · pp. 1–7 Read article
-
InSilico Analysis and Homology Modeling of Tetrahydroprotoberberine Oxide involved in the Berberine Biosynthesis
Abstract: Objective: Berberine, a bioactive compound found in various plant species, exhibits diverse pharmacological properties with potential applications in pharmaceutical research. The biosynthesis of berberine involves several enzymatic steps, with (S)-tetrahydroprotoberberine oxidase playing a pivotal role. This study aimed to elucidate the structural and functional characteristics of (S)-tetrahydroprotoberberine oxidase to better understand its role in berberine biosynthesis and its potential biotechnological applications. Methods: Using bioinformatics tools and computational methods, the physicochemical …
Published in Emerging Trends in Metabolites · Vol. 1, Issue 1, 2024 · pp. 7–26 Read article
-
Analysis of Bioinformatics Software Applied in Computer-Aided Drug Design
Abstract: The integration of bioinformatic tools with computational methods has revolutionized the field of Computer-aided Drug Design (CADD), enabling researchers to expedite the discovery and optimization of new therapeutics. This review provides an in-depth analysis of the bioinformatic tools utilized in CADD, encompassing molecular docking, molecular dynamics simulation, virtual screening, homology modelling, and molecular visualization. We go over the tenets, approaches, and uses of these instruments, emphasizing their value in expediting …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 2, 2024 · pp. 1–10 Read article
-
In Silico Identification of Therapeutic Agents for Dengue Virus by Molecular Docking
Abstract: The dengue virus causes serious health issues and a loss of quality of life. Dengue poses a yearly threat to half of the world’s population. The drugs that are based on allopathy are expensive and also exhibit toxic effects on tissues and biological activities. It is also generally accepted that most pharmacologically active drugs, including those derived from medicinal plants, are isolated from natural sources. The present study is directed …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 2, 2026 · pp. 01–14 Read article
-
Computer-aided Drug Design Method for Anti-hepatitis C Drug Design
Abstract: Hepatitis C is a disease caused by the hepatitis C virus and can cause serious liver damage. There is currently no vaccine for this disease and the number of infections continues to increase worldwide. Currently used antiviral drugs are interferon alfa-2a and ribavirin, but about half of patients do not respond to therapy. Therefore, new drugs that protect against hepatitis C need to be investigated. Computational drug methods have been …
Published in Research and Reviews : A Journal of Immunology · Vol. 14, Issue 2, 2024 · pp. 1–8 Read article
-
Topology and Geometry in Data Science: Persistent Homology and Beyond
Abstract: In recent years, the interplay between topology, geometry, and data science has gained substantial momentum, offering powerful frameworks to analyze and interpret complex datasets. Traditional statistical and machine learning methods often rely on linear or metric- based assumptions, which may fail to capture the intrinsic structure of high-dimensional or nonlinear data. In contrast, topological and geometric methods provide shape-oriented, scale- invariant tools that focus on the continuity, connectivity, and global …
Published in Recent Trends in Mathematics · Vol. 1, Issue 2, 2024 · pp. 21–27 Read article
-
Exploring the Genetic and Environmental Factors Contributing to Ovarian Cancer in Women in Mumbai, India
Abstract: Background: Ovarian cancer incidence in Mumbai has risen by 30% over the past decade, with an age-standardized rate of 9.1 per 100,000 women, contrasting stable trends in Western nations. This study investigates the interplay of genetic and environmental factors driving this disparity in Mumbai’s diverse population. Methods: A hospital-based case-control study was conducted at a hospital, enrolling 200 epithelial ovarian cancer cases (aged 30–70 years) and 400 age-matched controls. Germline …
Published in Research and Reviews: Journal of Oncology and Hematology · Vol. 14, Issue 3, 2025 · pp. 12–17 Read article
-
STRUCTURAL–EPIGENOMIC ATLAS: CNV/SV- DRIVEN PROGNOSTIC REFINEMENT ACROSS CANCERS
Abstract: Structural genomic alterations, including copy number variations (CNVs) and structural variants (SVs), play a central role in cancer initiation and progression. These alterations extend beyond gene dosage effects and interact dynamically with epigenomic mechanisms such as DNA methylation, histone modifications, and three-dimensional chromatin organization. Recent pan-cancer studies have demonstrated that CNV burden and SV signatures reflect key oncogenic processes including chromothripsis, homologous recombination deficiency, enhancer hijacking, and extrachromosomal DNA (ecDNA) …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 4, Issue 1, 2026 Read article
-
Investigations Into the Potential for Anthracene Decomposition of Novel Soil Bacterium, Pseudomonas putida P7
Abstract: Bioremediation of hazardous contaminants holds immense importance for the preservation of a clean and healthy environment. Conversely, the accumulation of toxicants can be mitigated with the assistance of microorganisms capable of breaking down these harmful substances into benign molecules. Anthracene is frequently used as a model molecule for studies on PAH pollution because it is found in many carcinogenic PAHs. Therefore, the hunt for new microorganisms with the ability to …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 14, Issue 2, 2024 · pp. 29–44 Read article