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71 articles for “Drug discovery”
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Illuminating the Frontier of Drug Discovery: Unleashing the Power of Bioinformatics for Unprecedented Breakthroughs
Abstract: It takes a long time and a lot of effort to discover and develop new drugs, which necessitates extensive study and testing. With the help of computational techniques and data analysis, bioinformatics has grown to be a potent tool for drug discovery in recent years, allowing researchers to find new drugs faster. In this review, we examine the role of bioinformatics in drug discovery, including the use of ligand- and …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 2, 2023 · pp. 1–10 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 Natural Products in Antiviral Drug Discovery: Insights into Mechanisms and Therapeutic Potential
Abstract: Drug discovery has always relied heavily on natural sources, especially when it comes to creating antiviral medications. This review explores the therapeutic potential of various natural products, including plant extracts, marine compounds, and microbial metabolites, in the fight against viral infections. We examine the mechanisms of action by which these natural compounds exert their antiviral effects, including direct inhibition of viral replication, modulation of host immune responses, and interference with …
Published in International Journal of Virus Studies · Vol. 1, Issue 2, 2024 · pp. 36–47 Read article
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Precision Medicine for Neurofibromatosis Type 1: Progress and Prospects in Drug Discovery
Abstract: Objective: The development of neurofibromas, café-au-lait spots, and other neurological problems are the hallmarks of neurofibromatosis type 1 (NF1), a hereditary disorder. The dearth of efficacious pharmaceutical therapies underscores the need for novel therapeutic approaches, even in the face of clinical variability. Through very accurate prediction of the binding affinity of possible therapeutic drugs with the target protein, the computational technique known as “molecular docking” has become a potent tool …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 01–15 Read article
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Risk & Opportunities in Development of new Drugs: A New Perspective
Abstract: The procedures of drug discovery and development are briefly described in this article. Our goal is to assist researchers whose work may be pertinent to the discovery and/or development of new drugs in framing their research reports in a way that appropriately situates their findings within the drug discovery and development process and supports the efficient translation of preclinical research to humans. One overarching theme of our article is the …
Published in Recent Trends in Infectious Diseases · Vol. 1, Issue 2, 2024 · pp. 19–28 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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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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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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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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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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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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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