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532 articles for “quantum mechanics/molecular mechanics (QM/MM)” (ranking capped at the first 2,000 matches — narrow the search to see the rest)
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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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Rapid Post-uterine Involution in Dairy Cows: Mechanisms, Dietary Strategies, and Impact on Postpartum Recovery
Abstract: The postpartum period in dairy cows is critical for reproductive success, with uterine involution playing a central role in returning the reproductive tract to its pre-pregnancy state. Rapid uterine involution is essential for improving reproductive performance and minimizing the risk of postpartum complications. This review explores the nutritional mechanisms that influence uterine involution, focusing on key dietary strategies to promote tissue repair and recovery. We examine the role of energy, …
Published in Emerging Trends in Metabolites · Vol. 2, Issue 2, 2025 Read article
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Vaccines in the Fight Against COVID-19: Mechanisms, Efficacy, and Global Challenges
Abstract: The SARS-CoV-2 pandemic has created an unparalleled public health problem, necessitating comprehensive prevention. This page discusses COVID-19's evolution, scientific understanding, and quick vaccine production and implementation. It compares the mechanisms, efficacy, and safety profiles of the four major types of COVID-19 vaccines—namely mRNA, viral vector, protein subunit, and inactivated virus vaccines. Each type is evaluated in terms of how it stimulates the immune response, its effectiveness in preventing infection or …
Published in Recent Trends in Infectious Diseases · Vol. 2, Issue 2, 2025 · pp. 34–48 Read article
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Advanced Security Mechanisms for AIDL Communication in High-Risk Environments
Abstract: Android Interface Definition Language (AIDL) serves as a critical component for inter-process communication (IPC) in Android systems, facilitating seamless interaction between different application components. However, in high-risk environments, such as military, healthcare, and financial systems, AIDL communication faces significant security challenges, including unauthorized access, data tampering, and privilege escalation. This paper presents a detailed review of the advanced security mechanisms designed to safeguard AIDL communication in such environments. We propose …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 4, Issue 1, 2026 Read article
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Plant-Derived Psychotropic Agents Targeting Neurotransmitter Systems: Pharmacognostic Evidence, Mechanisms, and Clinical Relevance
Abstract: Psychiatric health problems are also a large burden on global health and existing psychotropic drugs may be restricted by relative effectiveness, side effects, and inadequate long-term tolerability. Plant- based psychotropic agents have subsequently been the focus of interest in the form of complementary or alternative therapies. This review outlines the pharmacognostic, mechanisms of action and therapeutic importance of plant-based psychotropic agents against central neurotransmitter systems. The traditional medicinal practices give …
Published in International Journal of Brain Sciences · Vol. 3, Issue 1, 2026 · pp. 34–42 Read article
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Cosmetic Topical Formulations: Design Strategies, Skin Interaction Mechanisms, Clinical–Cosmetic Applications, and Emerging Trends
Abstract: Cosmetic topical products are central to modern skin care, as they deliver active ingredients directly to the skin surface and upper layers to improve appearance, texture, and function. By acting locally on the epidermis and adnexal structures, these preparations help manage dryness, photoaging, pigmentation, acne, and sensitive-skin conditions while minimizing systemic exposure. A wide range of dosage forms—creams, lotions, gels, ointments, serums, sprays, and transdermal-inspired cosmetic patches—are engineered to modulate …
Published in Recent Trends in Cosmetics · Vol. 3, Issue 2, 2026 · pp. 39–47 Read article
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Histoplasma capsulatum (Dimorphic Fungus) in India: Biological Features, Virulence Mechanisms, and Clinical Implications of Histoplasmosis.
Abstract: Histoplasmosis is a systemic mycosis caused by the thermally dimorphic fungus Histoplasma capsulatum. Infection is acquired primarily by inhalation of infectious microconidia and may range from asymptomatic infection to severe disseminated disease. Although histoplasmosis has classically been associated with the river valleys of the Americas, it is being increasingly recognized in Asia, including India, where it frequently mimics tuberculosis, leishmaniasis, lymphoma, and leprosy, resulting in delayed diagnosis and treatment. Cutaneous …
Published in International Journal of Fungi · Vol. 3, Issue 1, 2026 · pp. 38–48 Read article
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Partitioning Dynamics of Nutrients in Transition Dairy Cows: Metabolic, Hormonal, and Cellular Mechanisms Affecting Lactation and Fertility
Abstract: This review critically examines nutrient partitioning dynamics in dairy cows during the transition phase, a period that profoundly affects lactation and reproductive performance. During this phase, cows experience extensive physiological changes that alter nutrient requirements and utilization, making effective management essential for health and productivity. The review synthesizes current research on mechanisms of nutrient partitioning, with particular attention to energy, protein, and mineral balance, which are crucial for optimizing milk …
Published in International Journal of Nutritions · Vol. 3, Issue 1, 2026 Read article
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Early Life Nutrition as a Determinant of Long-Term Vaccine Immunogenicity in Livestock: Mechanisms, Practical Strategies, and Species-Specific Considerations
Abstract: Early life represents a critical period for immune system development in livestock, during which nutritional exposures can exert long lasting effects on vaccine immunogenicity. Although vaccination is a cornerstone of infectious disease control in food producing animals, marked variability in vaccine induced immune responses is frequently observed under commercial conditions. Growing evidence suggests that this variability is partly driven by differences in early nutritional status, which can influence immune maturation, …
Published in International Journal of Vaccines · Vol. 3, Issue 1, 2026 · pp. 15–26 Read article
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Photochemical Detoxification of Arsenic- and Mercury-Contaminated Soils: Geochemical Mechanisms and Pathways
Abstract: This study evaluates the geochemical aspects of soil detoxification in areas contaminated with arsenic (As) and mercury (Hg), emphasizing sustainable strategies for improving soil health and ensuring safe crop production. The research provides an ecological and toxicological assessment of regional soils and classifies them base on the concentration and mobility of toxic elements. Although the current levels of As and Hg do not yet present a critical risk to agricultural …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 4, Issue 1, 2026 · pp. 06–10 Read article
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The Global and Regional Challenge of Pan-Antibiotic Resistance: A Review of Emerging Threats and Mechanisms
Abstract: Antimicrobial resistance (AMR) is one of the major and most intricate threats to the health of the 21st century as it is core to the undermined expertise of the common clinical practice and public health security worldwide. The problem is characterized by the extensive development of bacterial pathogens into extremely drug-resistant (XDR) and pan-drug-resistant (PDR) so- called superbugs faster than it can be done with therapeutics. It is a synthesis …
Published in International Journal of Antibiotics · Vol. 3, Issue 2, 2026 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 studies of Benzodiazepine Derivatives With GABA(B) Receptor
Abstract: Benzodiazepines (BZDs) are pharmacologically significant compounds that act by binding to GABA A neurotransmitter receptors, subsequently augmenting GABA-induced chloride ion flux, consequently inducing neuronal hyperpolarization. Benzodiazepines are commonly used in the treatment of sleep disorders, anxiety, muscle spasms, seizure disorders, and some forms of depression. The primary inhibitory neurotransmitter, GABA, functions on two types of receptors: the ligand-gated GABA A/C receptors and the G protein-coupled GABA B receptors. These neurotransmitters …
Published in International Journal of Toxins and Toxics · Vol. 1, Issue 2, 2024 · pp. 1–14 Read article
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Molecular Docking Studies for the Identification of Mycobacterial Adenosine Triphosphate (ATP) Synthase Inhibitors Using Active Phytocompounds from Plants Curcuma longa, Curcuma zedoaria and Galipea officinalis
Abstract: Objective: Tuberculosis (TB), known in human history for several decades, remains the second leading infectious disease after COVID-19. Still, the occurrence of TB increases due to the bacterium’s greater survival nature. They can survive in extreme conditions by being in long latency and adapting to the host. This study seeks to identify potential inhibitors from Curcuma longa, Curcuma zeodaria, and Galipea officinalis based on ancient folklore and compare them against …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 16–26 Read article
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Mechanically Operated Portable Hydrotesting Setup
Abstract: Hydrostatic testing is a crucial process in ensuring the integrity and safety of pressure vessels, pipelines, and various other industrial equipment. Traditional hydrostatic testing setups often require significant infrastructure and resources, limiting their accessibility and flexibility, especially in remote or constrained environments. This research paper presents the design, development, and implementation of a portable hydro testing setup tailored to address these challenges. The proposed setup offers a compact, versatile, and …
Published in International Journal of Robotics and Automation in Mechanics · Vol. 2, Issue 1, 2024 · pp. 21–27 Read article
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AI-Driven Psychological Profiling on Social Media: Mechanisms, Ethical Breaches, and Regulatory Challenges in Data Inference
Abstract: This literature review examines AI-driven psychological profiling on social media, analyzing 21 academic studies that focus on machine learning techniques such as supervised learning, deep neural networks, sentiment analysis, and natural language processing. These methodologies infer mental health indicators—such as depression, anxiety, and stress—from users' digital footprints, encompassing linguistic patterns, engagement metrics, and temporal behaviors. While these tools offer potential for early detection of psychological distress, they also raise significant …
Published in Recent Trends in Social Studies · Vol. 2, Issue 1, 2025 · pp. 1–7 Read article
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Antibiotic Resistance in Microbes: History, Mechanisms, Therapeutic Approaches, and Strategies for Mitigation
Abstract: The global emergence of clinically significant antibiotic resistance is increasingly linked to the environment. Antimicrobials, metals, and biocides are just a few of the substances that are released into the environment through paths that are regulated by environmental regulators. Consequently, environmental regulators ought to be heavily involved in developing national and international antimicrobial resistance (AMR) measures. Antimicrobial compounds from pharmaceutical waste, agricultural runoff, and wastewater discharge contribute to the spread …
Published in International Journal of Antibiotics · Vol. 2, Issue 2, 2025 · pp. 1–11 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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Innovative Approaches to Luminescence: Exciton-Polariton Lasers and Quantum Confinement in 2D Materials
Abstract: The phenomenon known as luminescence occurs when an external energy of any kind excites a substance's electronic state, and the excited energy is released as light. Luminescence is the absence of heat produced by light emission. Luminescence comes in a variety of forms, including thermoluminescence, bioluminescence, and chemiluminescence. Examples of luminescence include flat-screen TVs, LED lights, and bioluminescent phytoplankton. The measurement of the emission spectrum produced when previously excited atoms …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 1, 2024 · pp. 26–33 Read article
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Effect of Process Variables on the Mechanical Characteristics of form Fabricated Materials
Abstract: Additive manufacturing prominent rapidly advancing technologies for producing 3D-printed products. Initially developed by stratasys, FDM technology emerged during the 1980s. This additive manufacturing technique builds products by extruding semi-molten material through a nozzle onto a platform. PLA and ABS are among numerous thermoplastics that are commonly used as filaments in this procedure. Purpose of research was to observe the effect of variables such as infill percentage, bed temperature, printing speed …
Published in International Journal of Machine Systems and Manufacturing Technology · Vol. 3, Issue 2, 2025 · pp. 32–39 Read article