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140 articles for “Drug discovery”
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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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Modern Computer-aided Drug Design Methods: A Review
Abstract: Computer-aided drug design (CADD) has emerged as a crucial tool in the drug discovery process, offering a time-efficient and cost-effective approach to identifying potential drug candidates. This review aims to provide an overview of modern CADD methods, including high-throughput screening (HTS), structure-based drug design (SBDD), ligand-based drug design (LBDD), structure-based virtual screening (SBVS), and ligand-based virtual screening (LBVS). We discuss the basic principles, applicability, and limitations of each method, highlighting …
Published in Research and Reviews: A Journal of Dentistry · Vol. 15, Issue 2, 2024 · pp. 14–20 Read article
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The Dual Crisis: Antibiotic Resistance and the Discovery Void – A Review of Novel Therapeutic Strategies and Non-Traditional Approaches
Abstract: The global rise of antimicrobial resistance (AMR) has emerged as one of the most critical public health challenges of the 21st century, threatening to undermine decades of therapeutic success and rendering conventional antibiotic regimens increasingly ineffective. Parallel to the escalating resistance rates is a profound “discovery void,” characterised by a steep decline in the development of new antibiotic classes since the late 20th century. Together, these two interconnected crises create …
Published in International Journal of Antibiotics · Vol. 3, Issue 1, 2026 · pp. 47–65 Read article
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Exploring the Intersection of AI Network Pharmacology and Ayurveda: Innovations in Traditional Medicine
Abstract: Integrative frameworks that integrate traditional medicine and modern computer research are increasingly important for advancing evidence-based, individualized healthcare. One interesting strategy is the combination of Ayurveda, network pharmacology, and artificial intelligence (AI). AI expands the capability by allowing for the quick analysis of biomedical big data, the identification of therapeutic trends, and the optimization of treatment plans. Ayurveda, with its long-standing emphasis on individualized care, holistic balance, and natural remedies, …
Published in Journal of AYUSH: Ayurveda, Yoga, Unani, Siddha and Homeopathy · Vol. 14, Issue 3, 2025 · pp. 92–98 Read article
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Targeting Papain-Like Protease of Re-Emerging Coronaviruses
Abstract: Re-emerging Corona viruses (CoVs), including SARS-CoV (S-CoVs), and SARS-CoV-2 (S-CoV-2), continue to pose a global health threat due to their high mutation rates, zoonotic spillover potential, and capacity for immune evasion. The global pandemic of year 2019, caused by S-CoV-2, has highlighted the importance for robust antiviral strategies beyond vaccines and RNA polymerase or main protease inhibitors, which are susceptible to resistance. One promising therapeutic target is the S-CoV-2 papain-like …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 15, Issue 3, 2025 · pp. 46–62 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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Drug Design and Process Chemistry: Bridging the Gap between Discovery and Manufacturing
Abstract: This review explores how drug discovery connects with process chemistry to enable large- scale pharmaceutical manufacturing. While drug discovery identifies and optimizes therapeutic compounds, process chemistry adapts these compounds for mass production, addressing challenges in scalability, cost, and quality. The article examines the role of early collaboration between drug designers and process chemists, recent innovations in green chemistry and flow chemistry, and case studies that illustrate successful scale-up strategies. Emerging …
Published in Trends in Drug Delivery · Vol. 12, Issue 1, 2025 · pp. 09–21 Read article
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AI Application in the Creation of Medications for COPD
Abstract: The crippling lung condition known as chronic obstructive pulmonary disease (COPD) is typified by a continuous restriction of airflow, which results in increased respiratory dysfunction and a reduced quality of life. The rising incidence of COPD worldwide emphasizes the pressing need for innovative pharmaceutical approaches to address the illness. Even though COPD care has advanced significantly, most current medications concentrate on symptom relief rather than disease change. This gap in …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 2, 2025 · pp. 01–05 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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Molecular Docking Analysis of Phytocompounds from Ficus hispida Aagainst Epidermal Growth Factor Receptor Kinase Domain
Abstract: The Epidermal Growth Factor Receptor (EGFR) kinase domain plays a key role in cancer, as it promotes tumour growth and helps cancer cells survive, making it an important focus for developing treatments. Through comprehensive computational analysis, this study investigates the anticancer potential of phytocompounds from Ficus hispida, a medicinal plant renowned for its diverse bioactive compounds, as novel EGFR inhibitors. Molecular docking techniques using Py Rx software were employed to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 Read article
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Molecular Docking Analysis of Phytocompounds from Ficus hispida Against Epidermal Growth Factor Receptor Kinase Domain
Abstract: The Epidermal Growth Factor Receptor (EGFR) kinase domain plays a key role in cancer, as it promotes tumour growth and helps cancer cells survive, making it an important focus for developing treatments. Through comprehensive computational analysis, this study investigates the anticancer potential of phytocompounds from Ficus hispida, a medicinal plant renowned for its diverse bioactive compounds, as novel EGFR inhibitors. Molecular docking techniques using Py Rx software were employed to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 48–62 Read article
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Emerging Digital Trends in Virology Software: Optimizing Viral Discovery, Surveillance,and Patient Management.
Abstract: Virology and antiviral therapeutics are being reshaped by rapid advances in computational tools, automation platforms, and virus-focused digital health applications. Software systems now span the entire virology value chain, from in silico viral target identification and antigen design, to AI-supported clinical trial management for vaccines and antivirals, to post-marketing pharmacovigilance and patient-facing mobile tools. This review examines current and emerging software trends relevant to virus studies, emphasizing applications in viral …
Published in International Journal of Virus Studies · Vol. 3, Issue 1, 2026 · pp. 29–38 Read article
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Anti Covid-19 Drugs Suggested by Computational Methods: A Review
Abstract: Background and aims: Long COVID refers to the persistence of illness in individuals who have survived from COVID-19 infection. This article reviews long covid and the use of in silico techniques in drug development for COVID-19. Results: Many COVID-19 survivors have long COVID, which has become a burden in daily life. Various attempts have been undertaken to relieve symptoms and manage it, but there is no cure as of yet. …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 1, 2023 · pp. 16–34 Read article
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From Clinic Formulation to Development of Acebrophylline
Abstract: Acebrophylline, a commonly utilized bronchodilator with anti-inflammatory properties, has become a key therapeutic option for managing respiratory conditions like asthma, chronic obstructive pulmonary disease (COPD), and chronic bronchitis. This review explores the journey of Acebrophylline from its clinic formulation to its development and commercialization, focusing on the key aspects of formulation strategies, pharmacological properties, and regulatory considerations. The drug’s dual mechanism of action, which involves both bronchodilation and anti-inflammatory effects, …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 15, Issue 1, 2025 · pp. 35–48 Read article
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In Silico Analysis and Molecular Docking Studies of COX-2 Inhibitors for Anti-Inflammatory Activity
Abstract: Although nonsteroidal anti-inflammatory drugs (NSAIDs) are frequently used to treat pain, lower fevers, and control inflammation, they frequently cause gastrointestinal side effects because they inhibit the COX-1 and COX-2 enzymes. Despite their effectiveness and lack of gastrointestinal side effects, selective COX-2 inhibitors have been linked to cardiovascular risks. To find new COX-2 inhibitors that are safer and more effective, this study uses in silico techniques, such as molecular docking and …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 38–55 Read article
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Current Updates On Employability Of Artificial Intelligence In Healthcare Science & Research
Abstract: Over the centuries, tools have been developed to increase refinement to manipulate different tools in many ways to use human digital computers. It can perform the same types of numerical and symbolic operations that can be done by ordinary people, but faster and more reliable. Artificial intelligence algorithms applied to computer applications and software. Include knowledge-based systems. AI is the science that mimics the mental skills of humans in computers. …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 16, Issue 2, 2025 · pp. 72–77 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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AI and ML in the Chemical Industry: A Review of Transformative Applications and Future Prospects
Abstract: The chemical industry, a key growth indicator of the global manufacturing ecosystem, is experiencing a digital transformation driven mainly by advancements in Artificial Intelligence (AI) and Machine Learning (ML) in this sector. These technologies are totally revolutionizing current and traditional methodologies by significantly improving process efficiency, reducing costs of manufacturing, accelerating R&D, and improving safety and sustainability standards. Proper utilization of Artificial intelligence (AI) and machine learning (ML) in chemical …
Published in International Journal of Cheminformatics · Vol. 3, Issue 2, 2025 · pp. 1–6 Read article
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Medicinal Properties of Oxytenanthera abyssinica: A Narrative Review
Abstract: Oxytenanthera abyssinica, a plant local to the African landmass, has gotten a parcel of intrigued in later a long time for its conceivable restorative benefits; it has been utilized in conventional medication for decades since of its assumed mending capabilities. In spite of its long history, careful logical examination into its restorative potential is being attempted. This review paper explore into the multidimensional part of O. Abyssinica is in progressed …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 13, Issue 2, 2026 Read article
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Molecular Docking, QSAR Modeling, and ADMET Evaluation of Novel Pyrazolo-Pyrimidine Derivatives as Potential CDK-2 Inhibitors for Cancer Therapy
Abstract: Cyclin-dependent kinase-2 (CDK-2) is an essential regulator in cell cycle progression and is an important therapeutic target in cancer drug development. In the present study, an integrated computational approach involving molecular docking studies, QSAR modeling, ADMET prediction, and artificial intelligence-based analysis was used to identify pyrazolo-pyrimidine derivatives as potential CDK-2 inhibitors. Based on the molecular docking results, it was found that selected compounds exhibited high binding affinity towards the ATP …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 Read article