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551 articles for “molecules”
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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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Drug Resistance in Targeted Cancer Treatment: Clinical Difficulties, Molecular Mechanisms, and Emerging Strategies
Abstract: Targeted cancer therapy, which selectively inhibits the molecular mechanisms responsible for tumor growth and development, has revolutionized modern oncology. Targeted therapies have lower systemic toxicity and better therapeutic efficacy when compared to traditional chemotherapy. However, the emergence of medication resistance often limits the long-term efficacy of these treatments, ultimately resulting in treatment failure and disease progression. Drug resistance develops through a number of intricate biological processes and can be innate …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 17, Issue 1, 2026 · pp. 130–138 Read article
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Molecular Surveillance of Spring Viraemia of Carp Virus (SVCV) and Koi Herpesvirus (KHV) Across Major Aquaculture Zones of Telangana, India
Abstract: Viral diseases represent a persistent threat to cyprinid aquaculture; however, region-specific surveillance data from tropical production systems remain limited. To address this gap, a comprehensive statewide active surveillance programme was undertaken across Telangana, India, from 2019 to 2022 to investigate the occurrence of two priority transboundary pathogens, Spring Viraemia of Carp Virus (SVCV) and Koi Herpesvirus (KHV). A total of 414 fish specimens were systematically collected from five surveillance sectors …
Published in International Journal of Virus Studies · Vol. 3, Issue 2, 2026 Read article
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A Comparative Study of the Structure-Property Relationships in CAD/CAM Milled vs. 3D-Printed High-Performance Polymers: Impact of Molecular Orientation on Abrasive Wear
Abstract: Background: The transition from subtractive to additive manufacturing in prosthetic dentistry has introduced significant variations in the macromolecular architecture of high-performance polymers. While CAD/CAM milling utilizes high-density, industrially polymerized blocks, 3D printing (Additive Manufacturing) relies on layer-by-layer deposition, which may induce anisotropic molecular orientation. This retrospective study investigates how these distinct manufacturing "thermal histories" influence the long-term abrasive wear resistance of PEEK and PEKK restorations.Materials and Methods: Data were retrospectively …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Genomic Selection for Grain Yield in Wheat Using Machine Learning on DArT Molecular Markers: A Comparative Evaluation Across Multi-Environment Trials
Abstract: Genomic selection (GS) predicts complex quantitative traits directly from genome-wide molecular markers, bypassing the need for extensive phenotypic trials and accelerating plant breeding cycles. We conducted a comparative evaluation of seven regression approaches — ridge regression (the machine-learning equivalent of RR-BLUP), Lasso, Elastic Net, Partial Least Squares, linear Support Vector Regression, Random Forest, and Gradient Boosting — for predicting grain yield from 1,279 Diversity Array Technology (DArT) molecular markers genotyped …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 2, 2026 Read article
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Computational Molecular Docking Studies to Design Novel 2, 3-Substituted-1-(4-(Piperidin-1-yl) butyl)-1H- indol-5-ol Derivatives for Estrogen Receptor Alfa in AF-2 Domain
Abstract: The present manuscript describes the designing of novel 2, 3-Substituted-1-(4-(Piperidin-1-yl) butyl)- 1H-indol-5-ol derivatives as specific estrogen receptor alfa modulators and their screening by docking studies to determine the binding interaction for the best-fit conformations in the binding site of the ERα receptor. Based on the results of docking studies, the selected ligands reveal the all- important functional groups of the ligands that interact with active amino acid residues in the …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 12, Issue 3, 2025 · pp. 15–49 Read article
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Antibiotic Resistance: Molecular Mechanisms of Resistance
Abstract: Antibiotics are called as ‘Wonder Drugs’, the miracles of modern sciences. They help combat bacteria and prevent their growth. But due to unmonitored and uncontrolled consumption of these antibiotics, there is an emergence of antibiotic resistance. This has led to a series of downfall in the therapeutic potency and efficacy of many drugs. More and more bacteria are becoming Multi-Drug Resistant (MDR); such highly resistant strains of certain bacteria are …
Published in Research and Reviews: A Journal of Microbiology and Virology Read article
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Molecular Characterization of Circulating Rota Viral Strain causing infantile diarrhoea in Tripura, North East India
Abstract: Introduction: North Eastern India is geographically distinct from rest of India and the trend of Rota viral diarrhoea among children below 5 years of age group is not well studied yet. The Government of India introduced the oral rotavirus vaccine (ROTAVAC) in 2016 as part of the Universal Immunization Programme in different parts of India. Objective: (1). To determine the proportion of circulating Rotavirus strains causing acute viral gastroenteritis (AGE) …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 11, Issue 3, 2021 · pp. 6–13 Read article
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Molecular Docking Studies of Wildtype P53 with Damnacanthal and Scopoletin- Phytochemicals Derived from Morinda Citrifolia
Abstract: Cancer is a prominent cause of mortality globally, and it has the potential to impact any region of the body. The tumor suppressor protein P53 plays a significant role in inhibiting tumor growth by regulating DNA repair, inducing cell cycle arrest, promoting senescence, and triggering apoptosis when confronted with genotoxic stress. P53 is found mutated in 50% of cancers where it loses its tumor suppressive properties and gains oncogenic properties …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 2, 2023 · pp. 20–31 Read article
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Molecular Docking Study: Targeting mycobacterium leprae ML2640 Protein Using Active Compounds from Coscinium fenestratum
Abstract: Objectives: Leprosy is an infectious disease in skin, peripheral nerve and mucosa of upper airway. Around 70% of this infection is caused by Mycobacterium leprae, which was discovered during1873. Multi drug therapy is used for the treatment, still multiple drug resistance and reactions has been reported among patients. Hence, this work focused on identifying bioactive compounds from Coscinium fenestratum that can target mycobacterium leprae ML2640 protein by in-silico approach. Method: …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 2, 2023 · pp. 21–33 Read article
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Molecular Docking of Nigella Sativa Phytocompound as Inhibitors of Transcription Factors NF-KB Implicated in Rheumatoid Arthritis
Abstract: Objectives: Nigella sativa, a plant considered around the world as the most treasured nutrient-rich herb for centuries together in different civilizations, is exceptionally known for its high levels of antioxidant properties. Free radical intensification due to oxidative stress plays a key role in the pathogenesis of rheumatoid arthritis by activating the NF-KB protein that regulates the expression of the genes involved in inflammation. Methods: This study involves in-silico approach to …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 2, 2024 · pp. 42–55 Read article
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From Molecular Mechanics to Nanocomposites: Engineering Polytetrafluoroethylene (PTFE) for High-performance Coating Applications
Abstract: Polytetrafluoroethylene (PTFE) exhibits remarkable chemical inertness, hydrophobicity, antifriction, self-lubrication, and high-temperature resilience, making it an ideal polymer for various industrial applications, including coatings for medical implants, machinery parts, and corrosion-resistant structures. This study presents a comprehensive analysis of PTFE’s structural properties, focusing on helix reversals within its helical carbon-fluorine chains and their effects on mechanical behavior. The phase transitions of PTFE at temperatures from ambient to high (198°C and above) …
Published in International Journal of Advance in Molecular Engineering · Vol. 2, Issue 2, 2024 · pp. 14–19 Read article
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Repurposing Approved Immunomodulatory Drugs for Target Proteins in the Pancreas of European eel: A Molecular Docking Approach
Abstract: Leishmaniasis is a disease caused by tiny parasites called Leishmania, which spread to humans through the bite of an infected female sand fly. The disease manifests in three different forms, and the protein calcitonin promotes the disease’s spread. By reducing blood calcium levels, inhibiting osteoclast activity, increasing calcium excretion, and possibly playing a role in neurotransmitter modulation, calcitonin, a hormone released by vertebrates, promotes the progression of pathogenesis and lessens …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 12–19 Read article
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Computational Investigation of Phytochemicals Targeting AKT1 for Major Depressive Disorder: A Molecular Docking and ADMET Study
Abstract: Major depressive disorder (MDD) is a prevalent neuropsychiatric condition affecting approximately 280 million individuals worldwide, with women exhibiting a 50% higher likelihood of diagnosis than men. Despite significant advancements in treatment, MDD remains a chronic and relapsing disorder, necessitating the exploration of novel therapeutic interventions. This study focuses on the AKT1 gene, a key player in neuropsychiatric disorders, and investigates its interactions with natural phytochemicals as potential alternatives to conventional …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 2, 2025 Read article
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Tobacco and COVID-19: Molecular Interactions and Public Health Challenges – A Review
Abstract: Tobacco use exacerbates health risks, making it a significant concern during the COVID-19 pandemic. Smoking has been implicated in the upregulation of ACE2 receptors, critical for SARS- CoV-2 entry, and contributes to immune dysregulation and oxidative stress, worsening clinical outcomes. Methods: This review synthesizes evidence on the molecular mechanisms linking tobacco and COVID-19, assesses risk factors, such as smoking status and comorbidities, and explores public health challenges in managing the …
Published in International Journal of Virus Studies · Vol. 2, Issue 1, 2025 · pp. 1–6 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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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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Density Functional Theory (DFT): Understanding and Quantifying Molecular Structure of 2-D Materials
Abstract: Density Functional Theory (DFT) has emerged as a cornerstone in computational chemistry and materials science, offering a powerful framework for predicting electronic structures and properties of atoms, molecules, and solids. By focusing on electron density rather than wave functions, DFT simplifies the many-body problem through approximations like the local density approximation (LDA) and generalized-gradient approximations (GGAs). The Hohenberg-Kohn theorems establish the theoretical foundation, proving that ground-state properties are uniquely determined …
Published in Journal of Microelectronics and Solid State Devices · Vol. 12, Issue 2, 2025 · pp. 33–40 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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A study on Antibiotic Resistance: An Analysis of Molecular Mechanisms and Therapeutic Implications
Abstract: Antibiotic resistance (AR) represents one of the most critical existential threats to global public health, rapidly eroding the efficacy of established antimicrobial therapies and portending a return to the pre-antibiotic era. This analysis explores the intricate molecular landscape defining this crisis, focusing specifically on the primary mechanisms of action (MoA) utilized by major antibiotic classes—including cell wall inhibitors, protein synthesis inhibitors, and nucleic acid synthesis inhibitors—and the corresponding, diverse mechanisms …
Published in International Journal of Antibiotics · Vol. 3, Issue 1, 2026 · pp. 9–21 Read article