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163 articles for “molecular interactions”
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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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Enzyme Stability Prediction using BERT and CNN-A Deep Learning Approach for Enhanced Biocatalysis
Abstract: An important factor in determining the efficacy of industrial enzymes used in various biotechnological applications is their stability. The goal of this study is to develop a predictive model for industrial enzyme stability, which is essential to the efficiency of these enzymes in biotechnological applications. The research takes a comprehensive strategy to comprehend the parameters affecting enzyme stability by combining statistical analysis, deep learning algorithms (BERT and CNN), and molecular …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 14, Issue 2, 2024 · pp. 19–35 Read article
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In Silico Screening of Terminalia chebula Phytocompounds as Potential Inhibitors of NTCP and DDB1 in Hepatitis B Virus Infection
Abstract: Hepatitis B virus (HBV) infection is a major global health concern, and chronic carriers are at risk of developing cirrhosis, hepatocellular carcinoma (HCC), and even death. Existing treatments can effectively inhibit viral replication, but they achieve little eradication of the virus because of covalently closed circular DNA (cccDNA) retention. In this investigation, bioactive compounds of Terminalia chebula, a plant known for its hepatoprotective and antiviral properties in traditional medicine, were …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 13, Issue 1, 2026 · pp. 33–44 Read article
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Progression in multi-omics and immunological research on host-parasite interactions: Transcriptomics, proteomics, genomics, metabolomics, and immune responses
Abstract: The interaction occuring between hosts and parasites is a quick and multi step-complex biological process that tries to influence disease outcomes. In recent years, multi-omics approaches, such as transcriptomics, proteomics, genomics, metabolomics, and immunological studies, have gathered substantial eye in dissecting these interactions at a microscopic level. These techniques enable a vast understanding of the molecular structures involved in parasitic infections and host defense mechanisms. This article reviews the advancements …
Published in Recent Trends in Infectious Diseases · Vol. 2, Issue 1, 2025 Read article
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Drug Repurposing of Anticancer Agents JP-8g and REDX05358 Against the Target Protein Plectin 1a in Epidemolysis Bullosa Simplex with Muscular Dystrophy (EBS-MD)
Abstract: Epidermolysis Bullosa Simplex with Muscle Dystrophy is a genetic disease affecting the skin and muscles which can be seen at birth or start at adulthood due to the mutation in the protein Plectin 1a (PLEC gene) causing skin blisters and muscle weakness. This protein is seen in sarcolemma, Z disks in skeletal muscles, hemidesmosomes in skin and cardiac muscles giving stability to cytoskeleton, playing a crucial role in neuromuscular transmission …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 22–34 Read article
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Molecular Docking Studies of Nyctanthes arbor-tristis Phytochemicals for Targeting TNF Receptor in Arthritis
Abstract: Rheumatoid Arthritis is an autoimmune disorder which results in inflammation. Tumor necrosis factor-alpha (TNF-α) is responsible for the progression of inflammatory arthritis by promoting immune cell activation and cytokine release. The present study explores the potential of bioactive compounds derived from Nyctanthes arbor-tristis (Parijat) in modulating TNF receptor activity through molecular docking. Computational methods were employed to evaluate the binding affinity of selected phytocompounds from N. arbor-tristis against the extracellular …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 11–21 Read article
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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
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Ecological, Economic, and Medical Roles of Fungi: Insights from Mycology in Addressing Global Challenges"
Abstract: The large and diverse kingdom of fungi is vital to ecosystems, industry, agriculture, and medicine. Due to its ecological and biotechnological value, mycology has grown in importance. Fungi are crucial to natural systems and human life, decomposing organic materials, developing mutualistic interactions with plants, and producing antibiotics and fermented products. Recent advancements in molecular biology and genomics have significantly enhanced our understanding of fungal diversity, physiology, and evolutionary processes. These …
Published in International Journal of Fungi · Vol. 2, Issue 2, 2025 Read article
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Host-Microbiota Crosstalk in the Rumen: Signaling Pathways for Nutrient Metabolism and Disease Resilience in Dairy Cows
Abstract: The rumen serves as a highly intricate microbial ecosystem, fundamentally responsible for the degradation of fibrous plant materials in ruminant. The intricate host-microbiota crosstalk within the rumen significantly influences nutrient metabolism, growth, and health outcomes in livestock. The interaction between the host and its microbial community, mediated through signaling pathways including the production of short-chain fatty acids (SCFAs), bile acids, and various metabolites, is crucial for enhancing nutrient absorption, fermentation …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 15, Issue 1, 2025 · pp. 29–41 Read article
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Growth, Structural and Optical characteristics of Citric Acid Doped Copper Sulphate Single Crystals Polymer Composites Photonic Applications
Abstract: The organic material Citric Acid doped Copper Sulphate single crystals (CACS) was synthesized and single crystal was grown by slow evaporation method. The incorporation of citric acid, an organic compound, introduces polymer-like functional behavior into the crystal matrix, forming an organic-inorganic hybrid composite with enhanced optical and structural characteristics. Single crystal XRD confirmed the triclinic system with unit cell parameters: a = 5.96 Å, b = 6.11 Å, c = …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 482–488 Read article
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Recombinant Proteins and Nested Gene Regulation: Nutrient Driven Immune Response and Disease Resistance in Livestock
Abstract: Livestock production systems are increasingly challenged by infectious diseases, metabolic disorders, and environmental stressors that reduce productivity and compromise animal health. Advances in molecular biology and animal nutrition now offer new opportunities to strengthen disease resistance through integrated strategies that combine recombinant protein technologies, gene regulatory mechanisms, and nutrient mediated immune modulation. This review examines how recombinant proteins and nested gene regulation interact to shape nutrient driven immune responses in …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 16, Issue 1, 2026 Read article
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An Integrated Study to Extrapolate the Interaction of NMDAR with Potential Ligands for the Treatment of Alzheimer’s Disease Symptoms
Abstract: Objective: Alzheimer’s disease (AD) is the most common neurodegenerative disease affecting the health status of older adults especially those above the age of 60 years. As an outcome, two types of medications have been developed for the treatment of its symptoms which are acetylcholinesterase (AChE) and N-methyl-D-aspartate receptor (NMDAR) antagonist. This paper uses the computational approach to understand the interaction of NMDAR with four major phytocompounds (curcumin, L-epicatechin, ginsenosides, and …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 1, Issue 1, 2023 · pp. 15–27 Read article
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A Technical Survey on Nanotechnology in Nanorobots
Abstract: Nanotechnology, the manipulation of matter at the atomic and molecular scale, has given rise to a revolutionary frontier: nanorobots – microscopic machines capable of interacting with biological systems and environments with unprecedented precision. This study explores the design, functionality, and application of nanorobots in medicine, environmental remediation, and materials science. By integrating principles from materials engineering, biotechnology, and robotics, nanorobots are engineered to perform tasks such as targeted drug delivery, …
Published in Journal of Nanoscience, NanoEngineering & Applications · Vol. 16, Issue 1, 2026 · pp. 14–21 Read article
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Identification of Hub Genes and Enriched Gene Ontology & Pathways in Idiopathic Pulmonary Fibrosis Through Bioinformatics Approaches
Abstract: Idiopathic Pulmonary Fibrosis (IPF) is a progressive interstitial lung disease marked by aberrant remodeling of lung tissue and excessive extracellular matrix deposition, ultimately leading to respiratory failure. Despite ongoing research, the molecular mechanisms underlying IPF remain incompletely understood. This research aims to uncover differentially expressed genes (DEGs) and related biological pathways through an integrated analysis of microarray data. Two publicly available datasets, GSE110147 and GSE53845, were obtained from the Gene …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 13, Issue 1, 2026 · pp. 1–13 Read article
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Modeling of ZnO Based Nano Sensor Device for Evaluating Electronic Interaction with NO2 Pollutant: Combining Multiphysics Simulation and DFT Study
Abstract: This study focuses on the designing and modeling of a sensor device employing zinc oxide (ZnO) nanowires (NWs), and the evaluation of the chemical response of the same in the presence of nitrogen dioxide (NO2), which is an acute harmful pollutant for human health and environment. Experimentally synthesized ZnO nanostructures were used as the basis for modeling of the ZnO NWs based sensor device along with a single ZnO NW, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 211–219 Read article
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Integrating Network Pharmacology and Molecular Docking to Assess Rutin’s Pharmacological Properties
Abstract: Objectives: In the present research, the network pharmacology process was applied to determine the underlying mechanism of the pharmacological properties of Rutin. Network pharmacology was utilized to reveal the interactions between medications and the targets of illnesses, and it is capable of completely articulating the complexity between diseases and medications. The identification of diverse drug-target interactions using network pharmacology may be utilized to discover novel medications for difficult conditions like …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 20–33 Read article
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Pharmacokinetic Profiling and Molecular Docking of Carvacrol and Structural Analogs: Targeting Quorum Sensing Proteins to Disrupt Biofilm-Mediated Antimicrobial Resistance in Multidrug-Resistant Bacterial Pathogen
Abstract: Antibiotic resistance, particularly in Pseudomonas aeruginosa, has become a major global health threat, exacerbated by the organism's ability to form biofilms and regulate virulence through quorum sensing (QS). The LuxR and LasR receptors are key regulators in this process, influencing both pathogenicity and antibiotic resistance. This study investigates potential QS inhibitors targeting these receptors as a strategy to mitigate antibiotic resistance. The primary objective was to identify novel ligands that …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 3, Issue 2, 2025 · pp. 43–61 Read article
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Gene Expression Profiling in Autism Spectrum Disorder: A Microarray Analysis Using Gse42133
Abstract: Autism Spectrum Disorder (ASD) is a diverse neurodevelopmental disorder characterized by difficulties in social interaction, communication impairments, and restricted or repetitive patterns of behavior. Despite its increasing prevalence, the underlying molecular mechanisms remain poorly understood. Advances in transcriptomics offer opportunities to investigate the gene expression changes that may contribute to ASD pathophysiology. In this study, the microarray dataset GSE42133 was analyzed, which comprises gene expression profiles from peripheral blood samples …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 13, Issue 1, 2026 · pp. 37–48 Read article
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Sequence analysis, DNA Methylation and Molecular therapy of Oral cancer caused by Human Papilloma Virus
Abstract: DNA methylations with oral cancer are been associated with high-risk Human Papillomavirus (HPV) and Epstein-Barr Virus (EBV) onco-proteins interactions may cooperate to increase disease severity. The work focused on human papillomavirus strain 16, a high-risk, sexually transmitted responsible for 95% of all cervical cancers and a large portion of oropharyngeal cancers. The prediction of genes from has shown seven genes from HPV16 strain. Based on gene identification studies, Human papilloma …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 4, Issue 2, 2026 · pp. 1–9 Read article
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Prediction of Molecular Targets for Anthraquinone and Its Analogs for Treatment of Good Pasteur Syndrome
Abstract: Objective: In order to find prospective molecular targets for the treatment of Good Pasteur Syndrome (GPS), a rare autoimmune disease that affects the kidneys and other organs, computational methods and network pharmacology were applied in this work. The goal of the study is to identify particular human proteins that might interact with anthraquinone and its analogues as well as to uncover potential mechanisms of action by which these drugs might …
Published in International Journal of Bioinformatics and Computational Biology Read article