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295 articles for “Lead optimization”
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Analysis of Bioinformatics Software Applied in Computer-Aided Drug Design
Abstract: The integration of bioinformatic tools with computational methods has revolutionized the field of Computer-aided Drug Design (CADD), enabling researchers to expedite the discovery and optimization of new therapeutics. This review provides an in-depth analysis of the bioinformatic tools utilized in CADD, encompassing molecular docking, molecular dynamics simulation, virtual screening, homology modelling, and molecular visualization. We go over the tenets, approaches, and uses of these instruments, emphasizing their value in expediting …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 2, 2024 · pp. 1–10 Read article
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Unveiling the Role of Lead Molecules in CADD: A Systematic Review
Abstract: The word "medicate plan" alludes to the objective creation of modern drugs. Arbitrary screening of engineered compounds, engineered of organically dynamic compounds based on actually happening drugs, amalgamation of basic analogs of actually happening lead particles, and usage of the bioisosteric hypothesis are a few of the strategies that have been utilized. As a result, the most recent drift in medicate plan is to either completely enhance a lead or …
Published in International Journal of Membranes · Vol. 1, Issue 1, 2024 · pp. 37–43 Read article
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Pharmacodynamics and Drug–Receptor Interactions: Integrating PK/PD Modeling with Modern Drug Development
Abstract: Understanding drug action requires an integrated perspective of pharmacodynamics and pharmacokinetics, which together determine therapeutic efficacy and safety. This review provides a comprehensive overview of the mechanisms underlying drug action, with particular emphasis on drug–receptor interactions and their role in modulating physiological responses. Drugs exert their effects primarily through interactions with specific biological targets, including receptors, enzymes, ion channels, and transporters, resulting in a spectrum of desired and adverse outcomes. …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 Read article
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Ligand Based Drug Virtual Screening in Computer Aided Drug Design: A Review
Abstract: Computer-Aided Drug Design (CADD) has revolutionized the drug discovery process by providing efficient and cost-effective methods for identifying potential drug candidates. Within CADD, ligandbased virtual screening techniques play a pivotal role in the early stages of drug discovery. This review provides a comprehensive overview of ligand-based drug virtual screening, focusing on its principles, applications, challenges, and future directions. Fundamentals of ligand-based virtual screening, including pharmacophore-based methods, similarity searching, and machine …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 11, Issue 2, 2024 · pp. 1–8 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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AI-based Drug Discovery-Revolutionizing Pharmaceutical Research
Abstract: The traditional drug discovery process is often costly, time-consuming, and prone to high failure rates. The advent of Artificial Intelligence (AI) has revolutionized this field by significantly enhancing efficiency, reducing costs, and improving success rates. AI-driven approaches, including machine learning (ML), deep learning (DL), and natural language processing (NLP), have transformed key areas such as drug target identification, molecular screening, lead optimization, and clinical trial design. AI models can analyze …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 2, 2025 · pp. 30–44 Read article
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Pathways in Drug Discovery and Development: From Molecular Targets to Market Approval
Abstract: A complicated, multidisciplinary, and resource-intensive process, the discovery and development of new pharmacological drugs is essential to the advancement of contemporary medicine. Finding and optimising lead chemicals comes after a disease-relevant biological target has been identified and validated. Through preclinical research in animal models, these leads are thoroughly assessed for toxicity, pharmacokinetics, safety, and efficacy. Clinical trials, which are carried out in several stages to evaluate safety, efficacy, ideal dosage, …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 1, 2026 · pp. 01–04 Read article
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Carbon based Supercapacitor for Electric Vehicles
Abstract: Carbon materials, like activated carbon, and graphene, are abundant and can be produced sustainably. This eco-friendliness aligns well with the overarching goals of electric vehicle manufacturers who are keen to diminish their carbon footprint. Their compatibility with renewable energy systems also opens avenues for integrated energy solutions, enhancing overall system efficiency. Carbon-based supercapacitors hold significant promises as complementary energy storage devices in the electric vehicle landscape. While challenges related to …
Published in Journal of Nanoscience, NanoEngineering & Applications · Vol. 14, Issue 3, 2024 · pp. 01–11 Read article
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The Role of Optimization and Probability in Shaping Artificial Intelligence
Abstract: This study discusses the basic roles of optimization algorithms and the theory of probability in the process of evolution and development of Artificial intelligence (AI). First, we introduce the role played by the next generation of leading-edge optimization algorithms developed since gradient descent to evolutionary strategies with respect to the learning of high-level AI models and how to enable them to learn to effectively explore high-dimensional parameter spaces. At the …
Published in Journal of Computer Technology & Applications · Vol. 16, Issue 2, 2025 · pp. 123–128 Read article
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Bone Fracture: Understanding, Therapies, and Rehabilitation
Abstract: Bone fractures are common injuries that can significantly impact an individual's quality of life. This article presents a comprehensive examination of bone fractures, encompassing their origins, categorization, and potential ramifications. This review of literature explores various therapeutic approaches and rehabilitation strategies employed in the management of bone fractures. Surgical interventions, non-surgical treatments, and rehabilitation techniques are discussed, highlighting their effectiveness in promoting healing, restoring function, and preventing complications. The article …
Published in International Journal of Orthopedic Nursing and Practices · Vol. 1, Issue 1, 2023 · pp. 24–28 Read article
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An Extensive Analysis of Computer-Aided Drug Design for Novel Psychotropic and Neurological Substances
Abstract: A comprehensive review of the use of computer-aided drug design (CADD) in the creation of innovative neurologic and neuropsychiatric medications is given in this article. It discusses the challenges in traditional drug discovery approaches and highlights the role of computational methods in accelerating the identification and optimization of drug candidates targeting psychiatric and neurological disorders. The method of finding new drugs has been completely transformed by Computer-Aided Drug Design (CADD), …
Published in International Journal of Brain Sciences · Vol. 1, Issue 2, 2024 · pp. 19–27 Read article
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A Review on Anesthetic Drug Discovery with Computer Aided Drug Design
Abstract: In contemporary medicine, anaesthesia is essential for enabling surgical procedures, pain control, and patient comfort. Finding and creating safe and efficient anaesthetics is crucial to enhancing patient outcomes and developing the medical field. In this review, we provide a comprehensive overview of anesthetic drug discovery with a focus on the integration of computer-aided drug design (CADD) methodologies. Beginning with an exploration of anesthesia mechanisms and targets, we delve into the …
Published in International Journal of Antibiotics Read article
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The Role of Optimism in Reducing Psychological Distress Amongst Women in Urban Areas
Abstract: This paper aims to explore the role of optimism in reducing psychological distress among women living in urban areas. Psychological distress, encompassing anxiety, depression, and chronic stress, has become increasingly prevalent due to the fast-paced and demanding nature of urban life. Women, in particular, face unique stressors including work-life imbalances, financial pressures, safety concerns, and societal expectations, which contribute significantly to elevated levels of mental strain. Finding healthy coping strategies …
Published in International Journal of Trends in Humanities · Vol. 2, Issue 2, 2025 Read article
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Performance Assessment of External Source-Driven Binary Vapor Cycles with Ammonia-Water and Trans-Critical CO2: The Impact of Reheating and Pressure Variations
Abstract: This study examines the thermodynamic performance of binary vapor cycles, specifically analysing two working fluid combinations: ammonia-water mixtures and trans-critical carbon dioxide (CO2). The study aims to evaluate their efficiency, applicability, and potential for improving energy conversion systems in various thermal applications. The analysis investigates how incorporating reheating processes and adjusting operating pressures impact system performance. These two parameters play a critical role in enhancing cycle efficiency and maximizing energy …
Published in Journal of Thermal Engineering and Applications · Vol. 12, Issue 2, 2025 · pp. 42–49 Read article
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Computer Aided Drug Designing for Targeted Drug Delivery Systems
Abstract: The discovery and development of a contemporary sedate is widely acknowledged as an extremely difficult task that requires significant resources and effort. Therefore, computer-aided medication design techniques are widely utilized today to increase the productivity of the drug discovery and development process. Among structure-based and ligand-based drug design approaches, both recognized for their efficiency in drug discovery and development, various CADD (Computer-Aided Drug Design) techniques are evaluated based on specific …
Published in Trends in Drug Delivery · Vol. 11, Issue 2, 2024 · pp. 34–41 Read article
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AI-Driven Carbon Capture and Utilization: Advancing Sustainable Solutions for Climate Change Mitigation
Abstract: Climate change stands out as one of the biggest challenges for our planet today, as it poses a threat unprecedented to global ecosystems and human societies. This phenomenon is primarily driven by the increase in atmospheric greenhouse gases, particularly carbon dioxide (CO2), which trap heat in the atmosphere and cause rising global temperatures. These sources are largely industrial processes, transportation, and energy production, all of which rely very much on …
Published in Journal of Remote Sensing & GIS · Vol. 16, Issue 1, 2025 · pp. 40–48 Read article
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Industry 4.0 and Smart Supply Chains: Transforming Supply Chain Processes for Enhanced Efficiency and Sustainability
Abstract: The fourth industrial revolution, or Industry 4.0, is an important transformation in how industries function via the use of cutting-edge digital technology. Supply chain management is being substantially altered by integrating technologies like blockchain, big data, automated processes, artificial intelligence, and the internet of things into typical operations of the supply chain. With the help of these technologies, corporations can design intelligent supply chains that are more effective, flexible, and …
Published in International Journal of Industrial and Product Design Engineering · Vol. 3, Issue 1, 2025 · pp. 36–41 Read article
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Deep Reinforcement Learning-Based Intelligent Energy Management Strategy for Battery–Supercapacitor Hybrid Energy Storage Systems in Electric Vehicles
Abstract: As the number of EVs increases, smart solutions for energy management are needed that will optimize energy use, prolong battery life and boost vehicle performance. The application of conventional rule based and optimization-based Energy Management Strategies (EMS) for Battery–Supercapacitor Hybrid Energy Storage Systems (HESS) often leads to sub-optimal power management, supercapacitor mismatch and battery degradation when subjected to varying driving conditions. This study aims to design an intelligent energy management …
Published in International Journal of Advanced Control and System Engineering · Vol. 4, Issue 2, 2026 Read article
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Smart Service Solutions AI: AI-driven Multimodal Search for Home Appliance Support
Abstract: The global home appliance services market is projected to reach USD 1,203.11 billion by 2032, driven by smart household appliances. Essential services like installations, maintenance, and repairs ensure optimal performance and longevity, leading to higher customer satisfaction and loyalty. The service station partner ecosystem is crucial for ongoing support and profitability. However, challenges such as identifying the right manuals, finding relevant parts, and providing accurate instructions must be addressed to …
Published in Journal of Instrumentation Technology & Innovations · Vol. 15, Issue 3, 2025 · pp. 27–43 Read article
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IoT-enhanced Real-time Monitoring and Hazard Detection
Abstract: This research explores the innovative application of internet of things (IoT) technology within occupational health and safety management systems (OHSMS) to substantially improve real-time monitoring and hazard detection in industrial settings. IoT sensors and wearable devices are deployed to enable continuous and thorough collection of data on environmental conditions, equipment status, and worker health. Real-time data analysis facilitated by IoT technology allows for the rapid identification and mitigation of potential …
Published in Journal of Industrial Safety Engineering · Vol. 11, Issue 2, 2024 · pp. 20–24 Read article