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111 articles for “protein structures”
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In Silico Drug Design for Mycobacterium tuberculosis and Development of Host–Pathogen Interaction Network and Molecular Docking Procedures
Abstract: Objective: A leading cause of illness is the contagious disease tuberculosis (TB), this infection with Mycobacterium tuberculosis complex (MTBC) particularly M. tuberculosis and M. africanum, is what causes tuberculosis. Diverse receptor proteins (mycobacterial proteins) with various 3D structures and functions were evaluated to access the multi-domain antimycobacterial action of ligands. The specific receptor proteins PDB ID: 3PTY, PDB ID: 4OW8, PDB ID: 5KWA, and PDB ID: 3ZXR, were opted for …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 1–19 Read article
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A Structure-based Design Approach to Catharanthus roseus Phytoconstituents as Potential Inhibitors of B-Cell Lymphoma 6 Protein
Abstract: Objectives: Lymphoma is a cancerous disease. It develops into millions of people worldwide. Identify the naturally active compounds from Catharanthus roseus, they have multiple values in the medicinal field of Siddha, and Indian Ayurveda are used as a disease-preventing agent. Drug illness prediction, toxicity prediction, statistical information, molecular docking, as well as absorption, distribution, metabolism, and excretion (ADME) analysis are used to predict the fit ligand as a drug. Methods: …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 14–34 Read article
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Molecular Docking-Based Analysis of Rauvolfia serpentina Alkaloids Targeting HPV E1 and L1 Proteins for Antiviral Therapeutic Potential
Abstract: Human papillomavirus (HPV) is a major cause of cervical cancer and other epithelial cancers. E1 and L1 proteins are crucial to the virus's lifespan. E1 is a viral helicase that is needed for HPV DNA replication, and L1 is the main structural capsid protein that builds the virion and infects target cells. Going after these proteins is a good way to stop viruses from spreading. In this case, Rauvolfia serpentina, …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 17, Issue 1, 2026 · pp. 100–113 Read article
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Grid based docking study of some 2-(4-methylsulfonyl phenyl) pyrimidine derivatives (designed after QSAR studies) with Cyclooxygenase
Abstract: Molecular docking helps in studying drug/ligand or receptor/ protein interactions by identifying the suitable active sites in protein, obtaining the best geometry of ligand-receptor complex and calculating the energy of interaction for different ligands to design more effective ligands. In Grid based docking, after unique conformers of the ligand are generated, the receptor cavity of interest is chosen and a grid is generated around the cavity. Cavity points are found …
Published in International Journal of Antibiotics · Vol. 1, Issue 1, 2024 · pp. 23–41 Read article
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Recombinant Protein Manufacturing Using Actinomycetes as Host Cells
Abstract: Actinobacteria are highly sought-after for use as cell factories or bioreactors in the pharmaceutical, agricultural, industrial, and environmental sectors. The commercial production of these proteins as recombinants and the biochemical and structural characterization of key proteins have been made possible by the genome sequencing of numerous species of actinomycetes. In this regard, better expression vectors that may be used with actinomycetes are required. As discussed in this article, recent developments …
Published in Research & Reviews: A Journal of Bioinformatics Read article
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Photoreceptor Dynamics: Light Sensing and Cellular Responses for Photochemistry
Abstract: Photoreceptor dynamics represent a fundamental aspect of photochemistry, encompassing the mechanisms by which biological systems detect and respond to light stimuli. Photoreceptors are specialized proteins that undergo structural and functional changes upon photon absorption, initiating a cascade of molecular events that translate light signals into cellular responses. These proteins are ubiquitous across life forms, including microbial rhodopsins, plant phytochromes, and animal opsins, each finely tuned to specific wavelengths and light …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 28–32 Read article
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Optimizing Nutrient Utilization and Microbial Protein Synthesis in Ruminants: Strategies for Enhanced Feed Efficiency and Sustainable Productivity
Abstract: This review investigates strategies to optimize nutrient utilization and microbial protein synthesis in ruminants, aiming to improve feed efficiency and enhance overall livestock productivity sustainably. It focuses on key aspects of feed formulation, including balancing non-structural carbohydrates with protein sources, incorporating bypass proteins, and selecting high-quality forages that improve fiber digestibility. The review examines various feed processing techniques such as steam-flaking, pelleting, and ammonia treatment, which enhance nutrient bioavailability and …
Published in International Journal of Nutritions · Vol. 3, Issue 1, 2026 Read article
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In Silico Analysis and Molecular Docking Studies of COX-2 Inhibitors for Anti-Inflammatory Activity
Abstract: Although nonsteroidal anti-inflammatory drugs (NSAIDs) are frequently used to treat pain, lower fevers, and control inflammation, they frequently cause gastrointestinal side effects because they inhibit the COX-1 and COX-2 enzymes. Despite their effectiveness and lack of gastrointestinal side effects, selective COX-2 inhibitors have been linked to cardiovascular risks. To find new COX-2 inhibitors that are safer and more effective, this study uses in silico techniques, such as molecular docking and …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 38–55 Read article
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Targeting Homogentisate Dioxygenase Dysfunction in Alkaptonuria: Investigating Curcuma longa’s Therapeutic Potential
Abstract: Objectives: Alkaptonuria is known to have a faulty gene HGO in the metabolic process. In the present research work, the focus is towards investigating the therapeutic capabilities of the Curcuma longa upon the faulty Homogentisate dioxygenase gene using ligand-protein binding, which would assist in the corrective tyrosine metabolism. Methods: This study is based on the computational approach using different phytochemicals for evaluation of the potency against the abnormal Homogentisate dioxygenase …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 2, 2024 · pp. 1–11 Read article
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A Computational Study to Elucidate the Phytochemicals as An Antagonist Against Pruritis in Psoriasis
Abstract: Objective: Psoriasis is a chronic, non-contagious, auto-immune skin disorder that causes inflammation, pain, and itching in the affected areas. The etiology of this condition is not entirely understood, and while there are treatments available to manage the symptoms, there is currently no cure. The Transient receptor potential cation channel, subfamily Vanillin, member 3 (TRPV3), present in keratinocytes, allegedly had a part in the development of psoriasis-related pain and itching. Specifically, …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 49–61 Read article
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Metagenome-Informed Engineering of Monoclonal Antibodies: Mining Microbial Immunoglobulin-Like Domains for Ultra-Stable Therapeutics
Abstract: Metagenome-informed engineering represents an emerging strategy for improving the stability and functionality of monoclonal antibodies (mAbs) by leveraging the vast diversity of microbial immunoglobulin-like (Ig-like) domains (10,24). These domains, derived from uncultured bacteria and bacteriophages, exhibit exceptional thermostability, protease resistance, and structural resilience due to adaptation to extreme environments (29,30). This review highlights advances in metagenomic mining, structural characterization, and protein engineering that enable the integration of microbial Ig-like scaffolds …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 16, Issue 1, 2026 Read article
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Polymer Chemistry in Nutraceutical Composites: Exploring Natural Polymers and Binding Systems in a Bamboo-Enhanced Formulation
Abstract: Polymer chemistry underpins the development of advanced nutraceutical composites, blending natural polymers with functional ingredients for health benefits. This study examines a novel nutraceutical formulation comprising ragi (16.39 g/100g), wheat (12.29 g/100g), soybean (12.29 g/100g), buffalo milk (16.39 g/100g), buffalo butter (4.13 g/100g), bamboo extract (0.90 g/100g), and auxiliary components (37.61 g/100g, including fats, sugars, and proteins). Natural polymers—proteins from soybean and milk, polysaccharides from ragi and wheat—form a macromolecular …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 878–884 Read article
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Biopolymer Degradation and Structure–Property Relationships in Ageing: A Polymer Science Perspective
Abstract: Ageing, as viewed from the polymer sciences perspective, is perceived as the gradual modification of the structure-property-function interrelationship of biopolymers such as proteins, polysaccharides, nucleic acids and their molecular aggregates. Such changes include structural organization, mechanical behavior, physicochemical stability and functional effectiveness. Ageing is an inevitable multifactorial polymeric process. Due to the growing aging population globally, more age-associated complications emerge, which are correlated with the molecular degeneration of biopolymeric complexes. …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 479–489 Read article
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In Silico Assessment of Demethoxycurcumin: Molecular Docking and Computational Insights into its various therapeutic Potential
Abstract: Natural compounds are increasingly explored for their therapeutic potential in medical research. Here, we focused on demethoxycurcumin (DMC), a polyphenolic bioactive compound extracted from Curcuma longa, commonly found in turmeric. DMC, with a chemical formula of C20H18O5 and a molecular weight of 340 g/mol, possesses two aromatic ring systems, each featuring a β-diketone moiety connected by a seven-carbon chain. This unique structure allows DMC to engage in tautomerism, which is …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 1, 2024 · pp. 9–15 Read article
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MicroRNAs in Animal Behavior: Regulation of Memory and Decision-Making in Mammals
Abstract: MicroRNAs are small, non-coding RNA molecules that play a crucial role in post-transcriptional regulation of gene expression. In recent years, their significance has extended beyond cellular development and disease regulation, as emerging evidence suggests they are critical mediators in complex behavioral processes, including learning, memory, and decision-making. This article explores the role of miRNAs in regulating neural plasticity and cognitive functions in mammals, emphasizing their involvement in memory formation and …
Published in Research and Reviews : Journal of Veterinary Science and Technology · Vol. 13, Issue 3, 2024 · pp. 21–25 Read article
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Molecular Docking and Interaction of Anthocyanin Derivatives in Regulating Hippo-taz Pathway for Renal Injuries
Abstract: Introduction: The Hippo pathway plays a pivotal role in renal disease, with Yes-associated protein (YAP) exhibiting promise for combined treatments. The crucial evaluation of YAP-targeted drug safety and efficacy through preclinical studies is imperative. Additionally, α-SMA and SMAD3 emerge as potential therapeutic targets in renal fibrosis, driving ongoing research toward innovative interventions. Materials and Methods: In the systematic identification of therapeutic secondary metabolites, Anthocyanin derivatives were methodically retrieved from the …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 2, Issue 1, 2024 · pp. 23–38 Read article
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Crop Metabolism: A Biochemical Perspective on the Synthesis of Key Biomolecules and Structural Adaptations
Abstract: Crop metabolism involves intricate biochemical pathways that govern the biosynthesis of essential biomolecules, ensuring growth, development, and adaptability in various environmental conditions. Key processes include the synthesis of nucleic acids, amino acids, proteins, carbohydrates, organic acids, lipids, and natural products, each playing vital roles in maintaining cellular homeostasis. Nucleic acids drive genetic information storage and transfer, while amino acids and proteins form the backbone of enzymatic and structural cellular functions. …
Published in Research and Reviews : Journal of Crop science and Technology · Vol. 14, Issue 1, 2025 · pp. 26–31 Read article
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Computational Exploration of Bhrijraj-derived Phytochemicals as Potential Anti-inflammatory Agents: A Molecular Docking Study with Cyclooxygenase-II Complex
Abstract: The molecular docking analysis was meticulously conducted using state-of-the-art computational tools, notably Chimera and Python. These tools were employed to unravel the complex interactions between the identified phytochemicals from Bhrijraj and the target protein, COX-II. The 3D structures of the phytochemicals were prepared with precision using ChemSketch, ensuring accuracy in the subsequent molecular docking simulations. This rigorous approach enhances the reliability and validity of the findings. This research aims to …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 31–37 Read article
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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
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Exploring Glucagon-like peptide-1 as a Target Protein for Diabetes Mellitus Treatment: Molecular Docking and Pharmacokinetic Analysis of Phytocompounds from Momordica charantia
Abstract: Objective: This study aimed to use molecular docking techniques to explore the potential of GLP-1 (glucagon-like peptide-1) as a target protein for the treatment of diabetes mellitus, a chronic metabolic disease marked by elevated blood glucose levels. Given its crucial role in maintaining insulin secretion and glucose homeostasis, GLP-1 may serve as a future target for diabetes therapy. Method: The study employed a multi-phase method. Initially, protein extraction was carried …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 1, 2024 · pp. 8–20 Read article