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171 articles for “drug discovery and development”
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Anti-inflammatory Potentials of Various Oxine Compound Series as Cyclooxygenase-2 (COX-2) and Lipoxygenase (LOX) Inhibitors: Induced-Fit Molecular Docking and Pharmacokinetic Prediction Studies
Abstract: The present investigation is an exploration of multiple oxine series in inhibiting crucial anti-inflammatory targets such as cyclooxygenase-2 (COX-2) (PDB ID: 3LN1) and lipoxygenase (LOX) (PDB ID: 1N8Q) by employing the Glide module of Maestro 9.1 software for induced fit docking (IFD). The study also focuses in exploration towards the essential pharmacokinetic parameters (QPlogPo/w, QPlogS, predicted aqueous solubility, QPPCaco, QPPMDCK, and percentage of human oral absorption). The study highlighted the …
Published in Research and Reviews : Journal of Computational Biology · Vol. 7, Issue 3, 2018 · pp. 16–23 Read article
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Pharmacophore Mapping of Dengue Virus Inhibitors of Natural Origin Using Phase and Self Organizing Neural Networks
Abstract: Dengue virus (DENV) infection is an important arthropod-born viral infection infecting about 2.5 billion people worldwide. To date there are no effective vaccine or antiviral treatment for dengue. Dengue patients are usually supportively treated until they recover without any specific treatment measures. Plants and plant’s derived compounds remain an important source for the discovery and the development of new antiviral drugs because of their expected low side effects and their …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 1, Issue 2, 2014 · pp. 1–18 Read article
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THE EVOLVING ROLE OF ARTIFICIAL INTELLIGENCE (AI) IN THE DISCOVERY OF CANCER DRUG THERAPY
Abstract: The term "cancer" refers to a broad range of diseases that develop in any organ or tissue of the body when malignant cells multiply out of control, cross their usual boundaries to infect surrounding body regions, and spread to other organs, primarily problems that arise in breast cancer and lung cancer. The world recognizes Artificial Intelligence (AI) as a cutting-edge technology. Today, several institutes, organizations, and individuals are aiming to …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 10, Issue 1, 2023 · pp. 74–87 Read article
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Computational Approaches to Understanding Cellular Signaling Pathways
Abstract: Cellular signaling pathways are fundamental in regulating vital processes, such as cell growth, differentiation, and apoptosis. The intricate and interconnected nature of these signaling networks requires sophisticated methods for their analysis. Computational approaches, including mathematical modeling, network analysis, and machine learning, have revolutionized the way researchers analyze and simulate cellular signaling. This article provides a comprehensive overview of computational strategies employed to model signaling pathways, with a focus on integrating …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 2, 2024 · pp. 8–13 Read article
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In Silico Assessment of Demethoxycurcumin: Molecular Docking and Computational Insights into its various therapeutic Potential
Abstract: Natural compounds are increasingly explored for their therapeutic potential in medical research. Here, we focused on demethoxycurcumin (DMC), a polyphenolic bioactive compound extracted from Curcuma longa, commonly found in turmeric. DMC, with a chemical formula of C20H18O5 and a molecular weight of 340 g/mol, possesses two aromatic ring systems, each featuring a β-diketone moiety connected by a seven-carbon chain. This unique structure allows DMC to engage in tautomerism, which is …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 1, 2024 · pp. 9–15 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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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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Review on Computer-Aided Drug Design in RAS Inhibitor Discovery
Abstract: This review explores the utilization of computer-aided drug design (CADD) methodologies in the discovery of inhibitors targeting the RAS pathway, a pivotal signaling cascade implicated in various cancers. Through an extensive examination of computational tools, methodologies, challenges, and recent advancements, this review aims to provide insights into the role of CADD in accelerating RAS inhibitor discovery. The discovery of effective inhibitors targeting the RAS pathway is of paramount importance in …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 3, 2024 · pp. 7–14 Read article
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Computational Exploration of Bhrijraj-derived Phytochemicals as Potential Anti-inflammatory Agents: A Molecular Docking Study with Cyclooxygenase-II Complex
Abstract: The molecular docking analysis was meticulously conducted using state-of-the-art computational tools, notably Chimera and Python. These tools were employed to unravel the complex interactions between the identified phytochemicals from Bhrijraj and the target protein, COX-II. The 3D structures of the phytochemicals were prepared with precision using ChemSketch, ensuring accuracy in the subsequent molecular docking simulations. This rigorous approach enhances the reliability and validity of the findings. This research aims to …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 31–37 Read article
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The Therapeutic and Biotechnological Potential of Pogostemon benghalensis – A Comprehensive Review
Abstract: Pogostemon benghalensis is a fragrant perennial shrub belonging to the family Lamiaceae, widely distributed across tropical and subtropical regions of Asia. It has been extensively utilized in traditional and ethnomedicinal systems for the treatment of wounds, skin infections, fever, digestive disorders, inflammation, and respiratory ailments. The plant is also valued for its antiseptic, aphrodisiac, insect-repellent, and veterinary medicinal properties. Its leaves, roots, and essential oil are incorporated into herbal formulations, …
Published in Research & Reviews : Journal of Botany · Vol. 15, Issue 2, 2026 · pp. 55–63 Read article
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Nanosensors with Special Reference to Biomedical Application
Abstract: Over the past few years, there has been an increasing interest in the field of nanoscale in various biomedical applications such as cancer diagnosis, drug discovery, detection of viruses and bacteria, blood glucose detection, and more. The development of nanosensors is one of the most recent time advances in nanotechnology. With the help of exclusive properties of nanomaterials, sensitive and fast nanosensors can be developed which will revolutionize the future …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 24, Issue 1, 2022 · pp. 17–45 Read article
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Secondary Metabolites in Drug Development: Tracing Their Historical and Therapeutic Impact
Abstract: Secondary metabolites, also known as natural products, exhibit a level of structural and chemical diversity unmatched by synthetic small molecule libraries. These compounds, which have evolved to possess drug-like properties, continue to be a primary source for new medications and drug leads. Their discovery has significantly impacted advancements in chemistry, biology, and medicine, influencing drug development and therapeutic strategies throughout history. Derived from primary metabolic pathways such as photosynthesis, glycolysis, …
Published in Emerging Trends in Metabolites · Vol. 1, Issue 2, 2024 · pp. 51–55 Read article
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Investigating the Impact of Viral Infections on Pharmacokinetics and Pharmacodynamics of Antiviral Drugs
Abstract: The emergence and re-emergence of viral infections pose significant challenges to public health, necessitating a comprehensive understanding of how these infections impact the pharmacokinetics and pharmacodynamics of antiviral drugs. This review explores the intricate interactions between viral pathophysiology and the pharmacological effects of antiviral agents. Factors such as viral replication dynamics, host immune responses, and the genetic variability of both viruses and hosts significantly influence drug absorption, distribution, metabolism, and …
Published in International Journal of Virus Studies · Vol. 1, Issue 2, 2024 · pp. 23–30 Read article
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Quantum Mechanics: Revolutionizing Pharmaceutical Sciences
Abstract: Quantum physics and pharmacy have generally been regarded as distinct areas—one investigates the microlevel behavior of non-living matter while the other concentrates on intricate biological systems. Nevertheless, progress in life sciences has increasingly depended on molecular-level insights, whereas quantum physics has advanced beyond basic principles to impact real-world uses. This intersection provides new opportunities for, pharmacy. Quantum entanglement, which allows for instantaneous relationships between particles, can be utilized for secure …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 12, Issue 1, 2025 · pp. 72–77 Read article
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Accelerating Drug Discovery with AI: Transforming the Pharmaceutical Pipeline
Abstract: The revolutionary potential of artificial intelligence (AI) is examined in this essay the pharmaceutical industry, highlighting its application across the drug development lifecycle. Artificial Intelligence, specifically via deep learning models and machine learning (ML) such as GANs, RNNs, and transformers, enhances drug discovery, formulation, toxicity prediction, and clinical trials. It streamlines processes like identification of targets, virtual screening, modelling of structure-activity relationships, and medication repurposing. AI is also employed in …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 2, 2025 · pp. 77–84 Read article
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Computational Biomodeling: Transforming Drug Design with Advanced Simulations
Abstract: Computational biomodeling has emerged as a transformative approach in the field of drug discovery, significantly enhancing the efficiency and precision of identifying and optimizing potential drug candidates. This article explores the various computational techniques utilized in drug design, including molecular docking, molecular dynamics (MD) simulations, free energy calculations, and virtual screening, and examines how these methods collectively contribute to the drug development process. The integration of these advanced simulations allows …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 3, 2024 · pp. 24–29 Read article
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Pharmacy Teachers' Contribution to Preserving Education's Integrity and Quality in the AI Era
Abstract: Artificial Intelligence through its modern approach supports the development of pharmacy education through customized methods and automatic evaluation systems and computerized training exercises. Students benefit from AI tools which include intelligent tutoring systems together with virtual assistants and simulation platforms because these tools improve their knowledge of pharmacology and drug formulation as well as clinical practice. The transition to AI-controlled education creates new academic integrity issues and ethical problems and …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 15, Issue 3, 2025 · pp. 20–42 Read article
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Biomarkers in Cancer Research: Discovery and Future Directions
Abstract: Biomarkers have transformed the study of cancer, providing critical information regarding prognosis and therapy response and promoting earlier diagnosis. This paper discusses the different parts of cancer biomarkers, starting with their description, classification, and major types, which are the groundwork for understanding their clinical role. The discussion on the development and validation process of biomarkers is then undertaken, focusing on state-of-the-art techniques and the importance of ensuring accuracy and reproducibility. …
Published in Trends in Drug Delivery · Vol. 12, Issue 1, 2025 · pp. 22–26 Read article
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Innovations in Targeted Drug Discovery for Personalized Medicine
Abstract: Personalized medicine is revolutionizing modern healthcare by custoizing treatment plans to match an individual’s genetic makeup, protein expression, and metabomlic characteristics. Also referred to as precision medicine, this approach seeks to improve therapeutic outcomes, reduce adverse effects, and make efficient use of healthcare resources. The incorporation of various omics technologies—including genomics, proteomics, transcriptomics, metabolomics, and epigenomics—has greatly advanced our ability to understand disease biology and molecular variations specific to each …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 3, 2025 · pp. 19–41 Read article
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Antibiotics in the Modern Era: Challenges, Misuse, and the Fight Against Resistance
Abstract: Overuse and inappropriate use of antibiotics in human medicine, agriculture, and environmental pollution. It is one of the biggest public health risks of the 21st century. The discovery of new antibiotics slowdown and the emergence of multidrug-resistant (MDR) microorganisms has highlighted the urgent need to Creative approaches to fighting opposition. This review explores the current challenges in antibiotic use, the factors driving resistance, and the strategies being implemented to address …
Published in International Journal of Antibiotics · Vol. 2, Issue 1, 2025 · pp. 57–70 Read article