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66 articles for “molecular profile”
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Synthesis, Molecular Docking and Biological Evaluation of Novel Chlorobenzenesulfonamide Analogues of Ibuprofen as Anti-Bacterial, Anti-Diabetic and Anti-Alzheimer Agents
Abstract: In this work, we have synthesized novel chlorobenzensulfonamide tertiary amide based analogues of Ibuprofen (Ibu) and investigated them for their anti-bacterial, anti-diabetic and anti-Alzheimer activities. In the first step, Ibu was converted to amide derivatives by incorporating different aromatic amines. These were further converted into sulfonamide analogues (Sul-Ibu, 1-9) by treating it with p-chlorobenzensulfonyl chloride. Sul-Ibu (1-9) were screened against S. aureus, B. subtilis, S. mutans, E. coli, P. aeruginosa, …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 41–55 Read article
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Synthesis, Molecular Docking and Biological Evaluation of Novel Chlorobenzenesulfonamide Analogues of Ibuprofen as Anti-Bacterial, Anti-Diabetic and Anti-Alzheimer Agents
Abstract: In this work, we have synthesized novel chlorobenzensulfonamide tertiary amide based analogues of Ibuprofen (Ibu) and investigated them for their anti-bacterial, anti-diabetic and anti-Alzheimer activities. In the first step, Ibu was converted to amide derivatives by incorporating different aromatic amines. These were further converted into sulfonamide analogues (Sul-Ibu, 1-9) by treating it with p-chlorobenzensulfonyl chloride. Sul-Ibu (1-9) were screened against S. aureus, B. subtilis, S. mutans, E. coli, P. aeruginosa, …
Published in International Journal of AgroChemistry · Vol. 3, Issue 1, 2025 · pp. 35–49 Read article
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Using Multitarget Molecular Docking to Examine the Antiviral Potential of Clerodendrum Phlomidis against Measles
Abstract: Objective: Measles, a viral disease caused by a member of the Paramyxoviridae virus family, is highly contagious and characterized by a respiratory illness and a maculopapular rash on the skin. Children are the main victims of the illness. In the context of drug development, this study investigates the efficacy of phytocompounds derived from Clerodendrum phlomidis against the target protein of the measles virus. Methods: The 7SKS protein was retrieved from …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 2, 2023 · pp. 32–42 Read article
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The Clinical Landscape of Wogonin: Advancing Targeted Treatments for Chronic Diseases
Abstract: The traditional Chinese medicinal herb Scutellaria baicalensis Georgi, commonly known as Chinese skullcap or Huang-Qin, has long been used to treat a variety of conditions, including cancer, viral infections, and seizures. Its pharmacological effects are largely attributed to the high concentration of flavones, particularly wogonoside, and its aglycone derivative, wogonin. Among the bioactive compounds found in S. baicalensis, wogonin has garnered the most scientific attention due to its potent therapeutic …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 12, Issue 1, 2025 · pp. 46–52 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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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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In Silico Analysis and Docking Study of the Active Phyto Compounds of Ginkgo Biloba Against Alzheimer's Amyloid-Beta Protein
Abstract: Objective: Alzheimer's disease, an age-related progressive neurological condition, arises due to the accumulation of amyloid-beta protein within the brain. In this study, an attempt was made to explore the potential of natural compounds derived from Ginkgo, known for their diverse medicinal properties, in the prevention of the disorder by employing molecular docking techniques, conducting drug-likeness prediction assessments, and performing ADME analysis. Methods: Amyloid beta protein was retrieved from the PDB …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 Read article
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Precision Medicine for Neurofibromatosis Type 1: Progress and Prospects in Drug Discovery
Abstract: Objective: The development of neurofibromas, café-au-lait spots, and other neurological problems are the hallmarks of neurofibromatosis type 1 (NF1), a hereditary disorder. The dearth of efficacious pharmaceutical therapies underscores the need for novel therapeutic approaches, even in the face of clinical variability. Through very accurate prediction of the binding affinity of possible therapeutic drugs with the target protein, the computational technique known as “molecular docking” has become a potent tool …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 01–15 Read article
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A Molecular Docking Study: Targetting HIV-1 Integrase Protein Against Selected Phytocompounds from Calophyllum Lanigerum
Abstract: Objectives: The most common form of HIV that causes AIDS is HIV-1. The World Health Organization has estimated roughly 75 million plus HIV-1 infections till date and roughly 40 million deaths (as of 2021). Thus, this study was done to identify natural compounds from Calophyllum lanigerum, a medicinal plant largely endemic to South-East Asia, to inhibit the spread of this disease. It did so by using molecular docking methods, Lipinski …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 2, 2023 · pp. 43–55 Read article
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An in-silico toxicity study of the phytocompounds found in Pongamia pinnata leaves using the ProTox-II web server
Abstract: The aim of the current study was to determine the Insilco toxicity of the phytocompound present in the leaves of Pongamia pinnata. The leaves of Pongamia pinnata have long been used in traditional medicine for their therapeutic properties. Nowadays, herbal toxicity is a common problem caused by incorrect dosage. The FDA reviews the safety and effectiveness of herbal products only in response to patient or health care provider complaints—problems with …
Published in Research and Reviews : Journal of Crop science and Technology · Vol. 13, Issue 1, 2024 Read article
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Screening of Newer Phytoconstituents on Novel Enzymes for their Biological Activity
Abstract: Background: Hyperlipidemia and gout are prevalent metabolic disorders significantly impacting global health. The xanthine oxidase and HMG-CoA reductase pathways play pivotal roles in the pathophysiology of these conditions. This study explores the potential of natural phytoconstituents—daidzein, resveratrol, and genistein—as dual inhibitors for these enzymatic targets, offering insights into innovative therapeutic strategies. Aim: To evaluate the potential of natural phytoconstituents—daidzein, resveratrol, and genistein—as dual inhibitors of xanthine oxidase and HMG-CoA reductase …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 16, Issue 1, 2025 · pp. 81–86 Read article
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Toxicological Profiling and Safety Assessment of NASAT 2.0: A Conceptual Framework for Adaptive Nanoparticle Therapy in Rabies
Abstract: Rabies, caused by the highly neurotropic Rabies lyssavirus, remains one of the most enigmatic and universally lethal infectious diseases known to modern medicine. Once clinical symptoms manifest following successful neuroinvasion, the fatality rate approaches absolute certainty (approximately 99.9%), a staggering statistic that has remained largely unchallenged despite massive, concurrent advances in modern virology, critical care medicine, and cellular immunology. Current late-stage therapeutic protocols, most notably the widely debated Milwaukee Protocol, …
Published in Research and Reviews: A Journal of Toxicology · Vol. 16, Issue 2, 2026 · pp. 1–19 Read article
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Study Review: Molecular Mechanisms of Nanoparticle-Cell Interaction – Implications for Drug Delivery and Toxicity
Abstract: The application of nanoparticles in drug delivery and biomedical therapies holds great promise, yet their interaction with cells and the underlying molecular mechanisms remains areas of active research. This study explores the molecular mechanisms of nanoparticle-cell interactions, focusing on the effects of gold nanoparticles (AuNPs) and silica nanoparticles (SiNPs) in human cancer cell lines (HeLa and MCF-7). The study examines how nanoparticles are internalized by cells, their impact on cellular …
Published in Research and Reviews: A Journal of Toxicology · Vol. 15, Issue 2, 2025 · pp. 31–40 Read article
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Hydrolysis-Driven Optimization of Hydroxypropyl Maize Starch for Improved Micro-Pellet Binding and Quick Solubility of Spirulina-Based Micro-Pellets
Abstract: Acid hydrolysis is a well-established approach for modifying the physicochemical properties of polysaccharides & macromolecules including hydroxypropyl Maize starch (HPMS). In this study, the effect of varying concentrations of hydrochloric acid on the partial hydrolytic degradation of HPMS (Lycoat RS-780) was investigated at 85°C for 4 h, yielding polymers of different molecular weights. The Acid-mediated degradation effects on polymer characteristics were systematically assessed using capillary viscometry and gel permeation chromatography …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 17, Issue 3, 2026 Read article
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A Review of Drug Design Techniques Assisted by Computers to Combat Diabetes
Abstract: Diabetes mellitus is a global health concern characterized by chronic hyperglycemia and associated complications. The creation of innovative medicines with enhanced efficacy and safety profiles continues to be a top focus, notwithstanding improvements in treatment. A useful method in drug development, computer-aided drug design (CADD) makes it easier to identify possible therapeutic candidates and optimise lead molecules. An extensive synopsis of CADD tactics used in the fight against diabetes is …
Published in Emerging Trends in Personalized Medicines · Vol. 2, Issue 1, 2025 · pp. 1–10 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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Understanding Leukemogenesis: Challenges and Advancements in Diagnostic Approaches
Abstract: Leukaemia development, or leukemogenesis, is a multifactorial process driven by a complex interplay of environmental, genetic, and epigenetic factors. Despite substantial advancements in technology and medicine, which have enhanced our understanding of the contributing factors, early and accurate diagnosis remains a major challenge due to the overlapping clinical features shared by the various leukaemia subtypes. This study explores the molecular and cellular mechanisms underlying leukemogenesis, while also addressing the difficulties …
Published in International Journal of Biomedical Innovations and Engineering · Vol. 3, Issue 1, 2025 · pp. 11–22 Read article
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Drug Induced Immune Mediated Nephritis: Molecular Mechanism , Pathways and Clinical Implications
Abstract: Drug-induced immune-mediated nephritis (DI-IMN) has become a more widely known cause of acute kidney injury (AKI), with the potential for development to chronic kidney disease if not detected and treated promptly. T-cell hypersensitivity to pharmaceuticals, such as antibiotics, proton pump inhibitors, nonsteroidal anti-inflammatory drugs, and immunological drugs, are the major causes for it. Beyond clinical burden, DI-IMN reflectsintricate molecular interactions that sustain interstitial inflammation and tubular injury. These interactions include …
Published in International Journal of Toxins and Toxics · Vol. 3, Issue 1, 2026 · pp. 13–29 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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In Vivo Biocompatibility and Interfacial Stability of Thermoplastic Polyurethanes and Nanofilled Resin Composites: A Bioanalytical Study of Polymer-Host Interactions Under Dynamic Loading
Abstract: The widespread application of thermoplastic polyurethanes (TPU) and nanofilled resin composites in biomedical devices requires rigorous assessment of their biocompatibility under mechanical stress. While nanofilled composites utilize filler particles (<100 nm) to enhance surface properties and wear resistance, the biological response to these materials in a hydrolytic, enzymatic environment remains a critical area of investigation. Objective: To analyze the in vivo bio-molecular response at the interface of TPU aligners and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1112–1119 Read article