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71 articles for “drug discovery”
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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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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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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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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
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Use of NMR and Other Spectroscopy Techniques in Heterocyclic Oxadiazole Derivatives Studies: A Review
Abstract: It was possible to create a number of novel symmetrical 2,5-dialkyl-1,3,4-oxadiazoles with substituents including carboxymethylamino, isopropyloxycarbonylmethylamino, and bromine at the terminal positions of the alkyl groups. The multistep process that was devised used hydrazine hydrate, phosphorus oxychloride, and commercially available acid chlorides that varied in alkyl chain length and terminal substituent.Diisopropyliminodiacetate was an easy way to substitute the intermediate bromine-containing 2,5-dialkyl-1,3,4-oxadiazoles. This was followed by hydrolysis in an aqueous methanol …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 1, 2024 · pp. 07–13 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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Tinospora Sinensis Compounds for Zika Virus Targets 5JRZ and 5KVD In Silico Screening: A Potential Approach to Preventing Guillain-Barre Syndrome
Abstract: Objective: GBS is a very rare kind of disease but at the same time, it is very dangerous too. The study estimates that people who are suffering from zika virus infection are more prone to GBS. According to surveys, 1 out of 4000 people got affected by this disease, and the scariest part of this disease is that there is no cure available. In this computational era drug discovery is …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 · pp. 1–15 Read article
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Recent Update on Advanced Drug Delivery System
Abstract: Over the past decade, there has been a growing interest in the use of artificial intelligence (AI) technology for analysing and interpreting biological or genetic data, accelerating drug discovery, and identifying selective small-molecule modulators or rare molecules in addition to predicting their behaviour. The use of artificial neural networks (ANNs) for the rapid analysis of massive amounts of data, the development of novel hypotheses and treatment plans, the prediction of …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 1, 2023 · pp. 22–30 Read article
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Molecular Docking and Interaction of Anthocyanin Derivatives in Regulating Hippo-taz Pathway for Renal Injuries
Abstract: Introduction: The Hippo pathway plays a pivotal role in renal disease, with Yes-associated protein (YAP) exhibiting promise for combined treatments. The crucial evaluation of YAP-targeted drug safety and efficacy through preclinical studies is imperative. Additionally, α-SMA and SMAD3 emerge as potential therapeutic targets in renal fibrosis, driving ongoing research toward innovative interventions. Materials and Methods: In the systematic identification of therapeutic secondary metabolites, Anthocyanin derivatives were methodically retrieved from the …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 2, Issue 1, 2024 · pp. 23–38 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
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Marine Fungi – An Expandable Source for Production of Novel Bioactive Metabolites: A Comprehensive Review
Abstract: The marine environment, representing the largest and most extreme biome on Earth, serves as an unparalleled reservoir of biodiversity. Within this vast ecosystem, marine fungi have emerged as a prolific source of structurally diverse and pharmacologically active secondary metabolites. Dwelling in habitats characterized by extreme high salinity, high hydrostatic pressure, and low temperatures, these microorganisms have evolved unique biochemical and metabolic pathways to synthesize novel compounds, including pyrrole-imidazole alkaloids, cyclic …
Published in International Journal of Fungi · Vol. 3, Issue 1, 2026 · pp. 30–37 Read article
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Anticancer Activity of Calotropis procera by Molecular Docking Analysis
Abstract: Cyclin-dependent kinase 2 (CDK2) is a protein synthesized by Calotropis procera. It is known to be responsible for causing cancer in the human body. Studies have presented the significance of the phytochemicals to inhibit the CDK2 protein. Adsorption, distribution, metabolism, and excretion (Swiss ADME) and PubChem were the pharmacological tools which were used to check molecular weight, which should be less than 500D, acceptors less than 10, and donors less …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 1, 2024 · pp. 01–07 Read article
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Practical studies in Vero cell and Human amnion cells for viral and stem cell applications
Abstract: Vero cells are one of the most popular mammalian continuous cells in molecular, cellular, and microbiological research. African green monkey kidneys are used to make these.One continuous cell line is the Vero cell line. This cell line is dependent on anchorage. Vero cells can be cultured in suspension because they are anchorage independent. Thought to be non-tumorigenic cells that came from a female Chlorocebus sabaeus Numerous viruses can infect vero …
Published in International Journal of Vaccines · Vol. 2, Issue 1, 2025 · pp. 1–8 Read article
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A Comprehensive Review on Pharmacological Properties of Coumarins
Abstract: Coumarins are a diverse group of secondary metabolites found in a variety of plant species (over 1200 different coumarins have been identified from natural sources, especially plants), as well as in fungi and microorganisms. Coumarin is a simple, widely occurring chemical structure in nature, present in many plants, fungi, and bacteria. In recent years, these natural compounds have attracted growing interest from the scientific community due to their broad spectrum …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 2, 2024 · pp. 12–17 Read article
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Unlocking Microbial Potential: Innovations in Natural Product Biosynthesis and Therapeutic Applications
Abstract: MNPs play a pivotal role in diverse fields, spanning medicine, agriculture, and industry. This review paper synthesizes insights from various discussions on microbial natural products, encompassing their sources, bioactive properties, and applications. We explore microbial diversity contributing to natural product synthesis, emphasizing bacteria and fungi as prolific producers. The methods for isolating and characterizing these compounds underscore the interdisciplinary nature of microbial natural product research utilizing various analytical techniques contributing …
Published in International Journal of Fungi · Vol. 2, Issue 1, 2025 · pp. 18–38 Read article
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Big Data in Chemistry: Problems and Answers
Abstract: The rapid growth of experimental and computational chemistry data, researchers now have access to vast datasets, presenting both significant opportunities and challenges. This paper explores the primary challenges associated with managing, processing, and utilizing big data in chemistry, including data heterogeneity, integration across various scales and systems, lack of standardized formats, and the need for advanced tools for data analysis. Additionally, the paper discusses the ethical concerns of data ownership, …
Published in International Journal of Cheminformatics · Vol. 2, Issue 1, 2024 · pp. 9–14 Read article
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QSAR Modeling Techniques: A Comprehensive Review of Tools and Best Practices
Abstract: Quantitative Structure–Activity Relationship (QSAR) modeling has become an essential tool in drug discovery, toxicity assessment, and environmental chemistry. By correlating chemical structure with biological activity or toxicity, QSAR enables the prediction of compound behavior without extensive experimental testing. This approach not only saves time and resources but also supports ethical practices by reducing reliance on animal studies. The evolution of QSAR from basic linear models to advanced machine learning and …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 56–63 Read article
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A Comprehensive Review of Metabolite
Abstract: Metabolites, tiny chemicals, are essential to physiology, signalling, and biological function. This extensive review classifies metabolites into primary and secondary categories by biological relevance. Alkaloids, flavonoids, and terpenoids contribute to ecological interactions and defence systems, while amino acids, nucleotides, and carbohydrates directly affect development and cellular function. The article examines metabolic pathways, mass spectrometry, NMR, and metabolomics, a growing field. Metabolites play a crucial role in various scientific and practical …
Published in Emerging Trends in Metabolites · Vol. 2, Issue 2, 2025 Read article