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140 articles for “Drug discovery”
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Advancements in Drug Design Technology and Its Impact on COVID-19 Treatment
Abstract: The deadly coronavirus disease 19 (COVID-19) pandemic has recently spread, raising concerns about global health. The search for novel therapeutic compounds is made more necessary by the persistent problem of the absence of licensed medications or vaccinations. By saving money and time, computer-aided drug design has sped up the process of finding and developing new drugs. The structured-based and ligand-based drug discovery subcategories of computer-aided drug design (CADD) are the …
Published in International Journal of Virus Studies · Vol. 1, Issue 1, 2024 · pp. 1–15 Read article
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Use of AI Tools to Create New Drugs
Abstract: The emergence of artificial intelligence in pharmaceutical research [in drug discovery] is a revolution in pharmaceutical research, often combining computational methods with traditional research methods to solve problems. This review article describes various applications of artificial intelligence at various stages of drug development and highlights significant advances and approaches. He explores the critical role of intelligence in drug design, polypharmacology, drug synthesis, drug repurposing, and prediction of drug properties, such …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 2, 2024 · pp. 22–49 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 the Interconnection Between Drug Design and Controlled Drug Delivery Systems
Abstract: Drug discovery and delivery are two branches of science that have historically developed as independent areas of discovery – one focused on optimizing the properties of molecules for biological activity, and the other on controlling the rate, site, and duration for drug release. However, in contemporary pharmacy, these two areas have merged into a single integrated approach – where drug discovery and delivery strategies co-influence each other at each point …
Published in Emerging Trends in Personalized Medicines · Vol. 3, Issue 1, 2026 · pp. 47–52 Read article
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Neuro-Symbolic Agentic AI for Autonomous Scientific Discovery: Integrating Deep Reinforcement Learning, Quantum Simulation, and XAI-Audited LLM Hypothesis Generation in Drug Target Identification
Abstract: The exponential growth of multi-omics data and the increasing complexity of disease-associated protein interactomes have rendered conventional drug target identification pipelines computationally and epistemologically inadequate. This paper presents the Neuro-Symbolic Agentic AI for Scientific Discovery (NS-AASD) framework, a unified architecture that cohesively integrates deep reinforcement learning (DRL) exploration strategies, variational quantum simulation (VQS) of protein conformational dynamics, and XAI-audited large language model (LLM) hypothesis generation within an autonomous scientific discovery …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 2, 2026 Read article
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In Silico Exploration of Podophyllum Hexandrum-Derived Phytocompounds as Potential Therapeutics Against Small Cell Lung Cancer (SCLC): A Molecular Docking Approach
Abstract: Small Cell Lung Cancer (SCLC) is a fast-growing and aggressive type of lung cancer that spreads quickly strongly associated with smoking. It is characterized by symptoms, such as persistent cough, breathing difficulties, or hoarseness, though it can sometimes be asymptomatic which makes early detection challenging. The tumor suppressor gene TP53 is critical in regulating the cell cycle and preventing uncontrolled cell division. Mutations in TP53 result in the loss of …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 1–11 Read article
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Aquatic Ecosystems: A Review on Prospecting of Anticancer Molecules from Fungi & Other Microbes
Abstract: Marine biota; namely, actinomycetes, bacteria, fungi, microalgae, green algae, oceanic weeds, mangroves, and other extremophiles constitute about 90% of the oceanic biomass. The organisms are taxonomically diverse, biologically productive/active, and biochemically unique. These unique biochemiques may act as a great source for the discovery of new bioactive molecules, including anticancer drugs. The marines produce medicinally potent biochemicals; namely, sulfated saccharides, polyphenols, and, sterols. Only a few of these alkaloids have …
Published in International Journal of Fungi · Vol. 1, Issue 2, 2024 · pp. 1–22 Read article
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Progression of Health and Wellness: Artificial Intelligence (AI) and Deep Learning (DL) for Precision Medicines
Abstract: Deep learning and artificial intelligence in the field of precision medicine is revolutionizing healthcare to make personalized therapeutic approaches desirable based on the unique characteristics of the patient. AI technologies improve diagnostic accuracy by analyzing medical data, spotting patterns and anomalies that human experts may miss. AI-driven models are instrumental in precision medicine, where they can predict patient response to therapies to tailor treatment plans, enhancing outcomes and reducing adverse …
Published in Emerging Trends in Personalized Medicines · Vol. 2, Issue 2, 2025 · pp. 1–5 Read article
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Regression Analysis of Topological Indices and Physicochemical Properties of Polymer-Based Anticancer Drugs
Abstract: The research analyzed the quantitative correlation between topological indices and the physicochemical properties of selected anticancer compounds using regression analysis. Various topological descriptors—such as the First Zagreb Index, Second Zagreb Index, and Forgotten Index were calculated and regressed against key molecular features, including polar surface area, melting point, and molar refractivity. The regression analysis revealed linear correlations between these topological indices and the properties of anticancer drugs, with particularly strong …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 255–267 Read article
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The Impact of Artificial Intelligence on the Sales and Marketing of Pharmaceutical Products
Abstract: The rapid development of computing and technology has permeated all branches of science, with artificial intelligence (AI) emerging as a pivotal field in computer science. AI has significantly influenced disciplines ranging from basic engineering to pharmaceuticals. In healthcare and medicinal chemistry, AI applications have become indispensable. Traditional drug discovery approaches are gradually being overtaken by computer-aided drug design. In recent years, artificial intelligence (AI) and machine learning (ML) have become …
Published in Research and Reviews: A Journal of Health Professions · Vol. 15, Issue 1, 2025 · pp. 10–18 Read article
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Advancements in Molecular Engineering: Innovations at the Nexus of Chemistry and Technology
Abstract: Molecular engineering, a frontier of chemistry, merges precision and innovation to design and assemble molecular structures with unprecedented control. This abstract explores recent advances, highlighting key breakthroughs and their transformative impacts. Starting with its roots in chemical synthesis and materials science, it traces the evolution towards rational design driven by computational tools and advanced characterization techniques, enabling tailored molecular architectures. A focal point is programmable molecules, where DNA nanotechnology principles …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 2, 2023 · pp. 37–43 Read article
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Drug Screening Using Stem Cell Technology
Abstract: Stem cell technology in drug screening has transformed the research and development sector of pharmaceuticals. Although stem cells imitate their human counterparts in terms of both safety and potential, it is a new paradigm for mimicking diseases of humans and scale measuring for toxicity. These tissues will, therefore, be more predictive of what will happen in humans during clinical situations, compared to conventional cell lines or animal models, since they …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 3, 2025 · pp. 42–51 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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Zebrafish in Drug Research: Decoding Biological Mechanisms and Finding Novel Therapeutic Targets
Abstract: The zebrafish, scientifically known as Danio rerio, is a powerful model organism in biological research because of its favorable traits, which include rapid development, genetic tractability, and transparent embryos. Zebrafish were first identified for their use in studies of vertebrate development, but they have since spread to a variety of disciplines, such as pharmacology, clinical research as a disease model, and most notably, drug development. Zebrafish have emerged as a …
Published in Research and Reviews: A Journal of Toxicology · Vol. 15, Issue 3, 2025 · pp. 1–8 Read article
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The Contribution of A. I. in Pharmaceutical Software
Abstract: The integration of Artificial Intelligence (AI) in pharmaceutical software has significantly transformed drug development, regulatory processes, and clinical management. AI-powered tools are revolutionizing data analysis, predictive modeling, and decision-making, enhancing the efficiency and accuracy of drug discovery and development. This article explores the multifaceted contributions of AI to pharmaceutical software, including its applications in drug screening, personalized medicine, clinical trial optimization, and regulatory compliance. Additionally, we examine how AI is …
Published in International Journal of Biomedical Innovations and Engineering · Vol. 3, Issue 1, 2025 · pp. 1–10 Read article
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Extrapolations of Periwinkle Secondary Metabolites as Multitarget Inhibitor of Breast Cancer Proteins
Abstract: Objective: Breast cancer is considered one of the most common and dangerous forms of cancer. It is a significant public health issue on a global scale. The study estimates that 10.0 million people will die from cancer this year, and 19.3 million people will develop the disease overall (BC). In this computation approach, nowadays emphasizes new drug discovery, the target protein epidermal growth factor receptor (EGFR) (5UGB), estrogen receptor (ER) …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 1, Issue 1, 2023 · pp. 36–49 Read article
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Artificial Intelligence in Drug Repurposing: A Short Impact Assessment
Abstract: Artificial intelligence (AI) in pharmaceutical repurposing has become a game-changing tool that opens new avenues for the application of new drugs that have already been approved. Traditional drug discovery is a lengthy and expensive process, whereas AI can rapidly analyze vast datasets of biological, chemical, and clinical information to predict drug-disease interactions. AI-driven techniques, such as machine learning, natural language processing, and deep learning, enable the identification of potential repurposing …
Published in Trends in Drug Delivery · Vol. 11, Issue 3, 2024 · pp. 42–45 Read article
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In-silico Approach of Few Selected Phytoconstituents on Newer Cancer Targets
Abstract: Background: Cancer’s high death rates are mainly due to, drug resistance and unmet medical demands. It necessitates novel anticancer medications. AI tools aid in efficient and faster drug discovery by analyzing data, modeling processes and optimizing pipeline stages. Aim: The aim of this present study is to evaluate phytoconstituents against novel and newer cancer targets. Methodology: The ligands Daidzein, Resveratrol and Genistein were targeted against the Glutamate dehydrogenase (PDB ID …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 3, 2024 · pp. 12–17 Read article
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The Art of Drug Design and Process Chemistry
Abstract: The creation of safe and efficient medications depends heavily on the art of drug design and process chemistry. This multidisciplinary discipline designs and optimizes drug candidates for therapeutic uses by fusing the concepts of biology, chemistry, and engineering. Researchers can develop compounds with pharmacological activity by using logical drug design techniques if they have a thorough understanding of the molecular targets implicated in disease pathways. By making it easier to …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 1–10 Read article
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Advancements in Antiviral Therapeutics: Strategies and Challenges in the Development of Drugs and Vaccines for Viral Diseases
Abstract: Viral infections continue to pose a significant threat to global health, leading to high rates of illness, death, and economic burden. The constantly evolving nature of viruses, along with the rise of drug-resistant strains, underscores the need for continuous advancements in antiviral treatments. This review highlights the pivotal role of antiviral drugs and vaccines in mitigating the impact of viral infections, showcasing recent breakthroughs and exploring emerging technologies. Key advancements …
Published in International Journal of Virus Studies · Vol. 1, Issue 1, 2024 · pp. 32–36 Read article