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130 articles for “structural biology”
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Biological Membranes: Structure, Function, and Their Roles in Disease Pathophysiology
Abstract: Biological membranes are important structures that control cellular work, signal transmission, transport, and communication. Dysfunction of membranes has been considered in the development of many diseases, such as cancer, neurodegenerative diseases, and infections, with the distortion of lipid composition, protein activity, and cellular connections involved in the pathogenesis of the disease. The damage on membrane can be caused by oxidative stress, genetic mutation, and environmental influence to disrupt cellular homeostasis. …
Published in International Journal of Membranes · Vol. 3, Issue 1, 2026 · pp. 38–46 Read article
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Review on Computer-Aided Drug Design in RAS Inhibitor Discovery
Abstract: This review explores the utilization of computer-aided drug design (CADD) methodologies in the discovery of inhibitors targeting the RAS pathway, a pivotal signaling cascade implicated in various cancers. Through an extensive examination of computational tools, methodologies, challenges, and recent advancements, this review aims to provide insights into the role of CADD in accelerating RAS inhibitor discovery. The discovery of effective inhibitors targeting the RAS pathway is of paramount importance in …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 3, 2024 · pp. 7–14 Read article
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Synthesis, spectroscopic, crystal structure, Hirshfeld surface, computational, and biological investigations on Isophorone derivatives: 3-(3,4-dimethoxystyryl)-5,5-dimethylcyclohex-2-en-1-one
Abstract: FT-IR, 1H NMR, and 13C NMR spectroscopy were among the spectroscopic methods used to synthesize and analyze 3-(3,4-dimethoxystyryl)-5,5-dimethylcyclohex-2-en-1-one, a new isophorone derivative. Single-crystal X-ray diffraction (SCXRD) was used to determine the crystal structure, which showed that the molecule crystallizes in a monoclinic system (space group P121/c1) with packing configurations and intermolecular interactions. To learn more about the non-covalent interactions influencing the crystal packing, Hirshfeld surface analysis was used. In order …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 16, Issue 2, 2025 · pp. 51–69 Read article
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Vaccines Through Time: Conventional Foundations and Next-Gen Innovations–Part 1
Abstract: Vaccination serves as a critical pillar of global public health, markedly decreasing infection rates and associated mortality. Traditional vaccine platforms such as live attenuated, inactivated, toxoid, and subunit vaccines have demonstrated effectiveness against pathogens like Mycobacterium tuberculosis and Plasmodium spp., yet they are constrained by antigenic variability, limited immune persistence, and complex production processes. Breakthroughs in synthetic biology, structural antigen design, and computational vaccinology have driven the development of advanced …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 16, Issue 1, 2026 · pp. 53–70 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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The Invisible Engineers: How Viruses Change Cells at the Molecular Level
Abstract: Viruses are frequently thought of as simple parasites, yet at the molecular level, they are quite good at engineering and may change the way the cells they infect work. The Invisible Engineers: How Viruses Rewire Cells at the Molecular Scale looks into how viruses get into host cells, mess up intracellular circuits, and exploit molecular resources to make copies of themselves. This article talks about how viral proteins and nucleic …
Published in International Journal of Virus Studies · Vol. 3, Issue 2, 2026 · pp. 1–6 Read article
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Bio-Inspired Membranes in Oral Drug Delivery: A Pathway to Enhanced Permeability and Targeted Therapy
Abstract: Bio-inspired membranes in oral drug delivery represent a significant advancement in pharmaceutical technology, harnessing principles of natural biological systems to improve drug permeability, bioavailability, and targeted release. This review discusses the design, materials, and fabrication techniques used in bio-inspired membranes, with a focus on materials like chitosan, silk fibroin, and synthetic polymers that mimic biological structures. By exploring the mechanisms of drug permeation, such as mucoadhesion and selective permeability, bio-inspired …
Published in International Journal of Membranes · Vol. 1, Issue 2, 2024 · pp. 39–52 Read article
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Molecular Dynamics and Therapeutic Architectures of Cannabinoid Receptors: A Comprehensive Review
Abstract: Expanding on these foundations, recent structural biology studies using cryo-electron microscopy have provided high-resolution insights into the conformational dynamics of CB₁ and CB₂ receptors. These findings have enabled a more precise understanding of ligand–receptor interactions, particularly how agonists, antagonists, and reverse agonists stabilize distinct receptor states. Such knowledge is critical for rational drug design, allowing researchers to selectively modulate downstream signaling pathways. For instance, CB₁ receptors primarily couple to Gi/o …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 36–40 Read article
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Data Integration and Visualization in Bioinformatics: Techniques and Challenges
Abstract: Data integration and visualization play essential roles in bioinformatics, facilitating the thorough analysis, and interpretation of intricate biological datasets. In the field of bioinformatics, vast amounts of data are generated from various experimental platforms, such as genomic sequencing, proteomics, transcriptomics, and metabolomics. However, the heterogeneity of these datasets, coupled with their large scale and complexity, presents significant challenges in terms of integration, analysis, and visualization. Data integration techniques aim to …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 3, 2024 · pp. 1–8 Read article
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Physics-Informed Generative and Tensor-Based Framework for DNA Sequence Simulation and Genomic Structure Discovery
Abstract: In this paper, we explore the intersection of artificial intelligence (AI) and mathematical physics to propose advanced methods for DNA sequence generation and analysis. Specifically, we investigate how physics-informed Generative Adversarial Networks (GANs) and tensor network representations can be harnessed to restructure DNA for applications in genetic science. The proposed methodology offers a unique integration of concepts of thermodynamic modeling with innovative GAN architecture in order to allow the creation …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 13, Issue 2, 2026 Read article
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Microvita as a Fermi-Boson Hybrid Quantum Excitation: A Statistical Pathway Toward Unified Physics, Chemistry, and Biological Organization
Abstract: This article reformulates Microvita as a hybrid quantum excitation that interpolates continuously between fermionic and bosonic statistical behavior. A generalized operator algebra, a dynamical statistical order parameter, and a Lorentz-covariant field equation are used to frame Microvita as an effective unification scheme rather than a mere philosophical construct. The formalism predicts renormalization-group flow between infrared fermionic and ultraviolet bosonic limits, while numerical profiles suggest vacuum-energy smoothing and topological-defect suppression in …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 17, Issue 1, 2026 · pp. 115–122 Read article
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Quantitative Structure-activity Relationship in Computer-aided Drug Design: A Review
Abstract: Quantitative Structure-Activity Relationship stands at the forefront of Computer-Aided Drug Design, providing a systematic framework for understanding the relationship between the chemical structure of molecules and their biological activity. The present review delves into the multifaceted realm of quantitative structure-activity relationship methodologies within the landscape of drug discovery. Through an exploration of diverse quantitative structure-activity relationship models, molecular descriptors, validation techniques, and recent advancements, the present article aims to elucidate …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 2, 2024 · pp. 55–63 Read article
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Recent Developments in Structural Genomics: Uncovering Cellular Functions
Abstract: Structural genomics has become a groundbreaking field for understanding cellular functions by revealing the three-dimensional structures of proteins and other biomolecules. This field combines advanced methods like X-ray crystallography, nuclear magnetic resonance spectroscopy, cryo-electron microscopy, and computational modeling to explore the molecular structure and behavior of cellular components. Recent advances have significantly accelerated the pace of structure determination, bolstered by high-throughput methods and artificial intelligence tools like AlphaFold. These developments …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 2, 2024 · pp. 30–35 Read article
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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
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The Effects of HIV/AIDS Worldwide
Abstract: The Human Immunodeficiency Virus (HIV), which targets immune system conductors (CD4 cells), has infected millions throughout the world. HIV lowers the body's defences by infecting certain bodily fluids (blood, sperm, vaginal fluids, and breast milk) through unprotected sex, contaminated needles, or mother-to-child transmission. Early flu-like symptoms may go unrecognised, but if not treated, HIV advances to AIDS, which is characterised by severe immune system impairment. However, advances in antiretroviral therapy …
Published in International Journal of Virus Studies · Vol. 1, Issue 1, 2024 · pp. 26–31 Read article
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Computational Simulations in Drug Discovery: Modeling Protein Folding and Drug Binding
Abstract: Computational simulations have become essential tools in drug discovery, offering unprecedented insights into molecular behavior at the atomic level. These simulations, particularly in the domains of protein folding and drug binding, allow for the exploration of complex biological systems that are often difficult to study experimentally. Protein folding, a critical aspect of drug discovery, involves the transition of a polypeptide chain from an unfolded to a biologically active structure. Understanding …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 1, 2025 · pp. 23–29 Read article
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QSAR Modeling Techniques: A Comprehensive Review of Tools and Best Practices
Abstract: Quantitative Structure–Activity Relationship (QSAR) modeling has become an essential tool in drug discovery, toxicity assessment, and environmental chemistry. By correlating chemical structure with biological activity or toxicity, QSAR enables the prediction of compound behavior without extensive experimental testing. This approach not only saves time and resources but also supports ethical practices by reducing reliance on animal studies. The evolution of QSAR from basic linear models to advanced machine learning and …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 56–63 Read article
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Electrospun Antibacterial Polymer Composite Scaffolds Incorporating Silver Nanoparticles for Enhanced Wound Healing
Abstract: The present study focuses on the synthesis and characterization of electrospun polycaprolactone (PCL)/chitosan nanofiber scaffolds incorporated with silver nanoparticles (AgNPs) to enhance antibacterial activity and biological performance. Uniform nanofibers with controlled morphology were fabricated using electrospinning, and different AgNP concentrations were introduced to investigate their influence on fiber structure, antimicrobial response, and cellular interactions. Scanning electron microscopy (SEM) revealed that increasing AgNP content resulted in well-distributed fibers with reduced diameters, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 1025–1051 Read article
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Design, Synthesis, and Spectroscopic Elucidation of 3-Methyl-1-Phenylpyrazol-5-One: A Cheminformatics-Aided Approach to Heterocyclic Drug Scaffolds
Abstract: Pyrazolone, a notable heterocyclic compound, has drawn increasing interest due to its broad pharmacological profile and structural versatility. The synthesis, characterisation, and biological assessment of new pyrazolone derivatives are examined in this work. A comprehensive review of existing synthetic strategies is presented, emphasizing green and efficient methodologies. Novel derivatives were synthesized using varied starting materials and catalytic systems, followed by structural confirmation through spectroscopic analyses, including NMR, IR, and mass …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 29–40 Read article
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Exploring Antimalarial Activity of Chalcone Derivatives through QSAR
Abstract: Background: The core structure of chalcones contains a reactive α,β-unsaturated system within the aromatic rings, which plays a key role in mediating various biological effects. These effects include enzyme inhibition, anticancer activity, anti-inflammatory properties, as well as antibacterial, antifungal, antimalarial, antiprotozoal, and anti-filarial actions.Modifying the structure by introducing substituent groups to the aromatic ring can enhance potency, reduce toxicity, and expand their range of pharmacological actions. Methods: A total of …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 1–6 Read article