Search
140 articles for “and drug discovery”
-
Application of Artificial Intelligence in Drug Discovery
Abstract: The application of artificial intelligence (AI) in medicine, especially through machine learning (ML), is revolutionizing new-age drug discovery research. AI is found as an efficient and powerful tool to narrow the gap between disease detection and developing and identifying potential therapeutic agents for a cure. This review provides a summary of the latest developments in AI and its potential application in drug discovery for untreatable diseases. The review also examines …
Published in Emerging Trends in Chemical Engineering · Vol. 12, Issue 3, 2025 · pp. 22–29 Read article
-
Computational Simulations in Drug Discovery: Modeling Protein Folding and Drug Binding
Abstract: Computational simulations have become essential tools in drug discovery, offering unprecedented insights into molecular behavior at the atomic level. These simulations, particularly in the domains of protein folding and drug binding, allow for the exploration of complex biological systems that are often difficult to study experimentally. Protein folding, a critical aspect of drug discovery, involves the transition of a polypeptide chain from an unfolded to a biologically active structure. Understanding …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 1, 2025 · pp. 23–29 Read article
-
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
-
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
-
Pathways in Drug Discovery and Development: From Molecular Targets to Market Approval
Abstract: A complicated, multidisciplinary, and resource-intensive process, the discovery and development of new pharmacological drugs is essential to the advancement of contemporary medicine. Finding and optimising lead chemicals comes after a disease-relevant biological target has been identified and validated. Through preclinical research in animal models, these leads are thoroughly assessed for toxicity, pharmacokinetics, safety, and efficacy. Clinical trials, which are carried out in several stages to evaluate safety, efficacy, ideal dosage, …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 1, 2026 · pp. 01–04 Read article
-
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
-
Revolutionizing Healthcare: AI in Drug Discovery and Pharmacy Practices
Abstract: Artificial intelligence (AI) has emerged as a revolutionary element across numerous sectors, especially in healthcare and pharmacy. AI systems that can execute functions typically necessitating human intelligence, such as learning, problem-solving, and speech recognition, are poised to transform drug discovery, enhance patient care, and reshape pharmacy practices. AI can help discover drugs with predicting interactions with drug destinations, virtual screening, drug reuse, and drugs that accelerate the development of effective …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 16, Issue 1, 2025 · pp. 94–100 Read article
-
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
-
Green Medicines in Drug Discovery
Abstract: The process of finding new leads for medicines using natural products is challenging. It discusses bioactive composites generated from natural resources, including phytochemical analysis, characterization, and pharmacological investigation. The success of these resources in the process of discovering unique and effective pharmacological combinations that may help mortal coffers is the primary focus. Natural goods have long been employed as a source of medicinal compounds, and they have shown promising results. …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 1, 2026 · pp. 32–48 Read article
-
AI-based Drug Discovery-Revolutionizing Pharmaceutical Research
Abstract: The traditional drug discovery process is often costly, time-consuming, and prone to high failure rates. The advent of Artificial Intelligence (AI) has revolutionized this field by significantly enhancing efficiency, reducing costs, and improving success rates. AI-driven approaches, including machine learning (ML), deep learning (DL), and natural language processing (NLP), have transformed key areas such as drug target identification, molecular screening, lead optimization, and clinical trial design. AI models can analyze …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 2, 2025 · pp. 30–44 Read article
-
AI Powered Invention in Pharmaceuticals Boosting Innovation
Abstract: Artificial intelligence has the potential to transform the drug discovery process, making the process more efficient, accurate and faster. But the success of artificial intelligence depends on the availability of good data, resolution of ethical issues, and awareness of the limitations of artificial intelligencebased methods. The present article examined the benefits, challenges, and shortcomings of skills in the workplace and suggested strategies and practical actions to overcome current challenges. Data …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 2, 2024 · pp. 102–107 Read article
-
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
-
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
-
A Study on The Impact of Artificial Intelligence in Pharmaceuticals
Abstract: The main goal of artificial intelligence (AI) is to create intelligent modeling, which facilitates knowledge imagination, problem-solving, and decision-making. AI is becoming more and more significant in several pharmacy domains, including polypharmacology, hospital pharmacy, drug discovery, and drug delivery formulation development. Various types of artificial neural networks (ANNs), including deep neural networks (DNNs) and recurrent neural networks (RNNs), are utilized in the development of drug delivery formulations and in drug …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 1, 2025 · pp. 24–32 Read article
-
Ligand Based Drug Virtual Screening in Computer Aided Drug Design: A Review
Abstract: Computer-Aided Drug Design (CADD) has revolutionized the drug discovery process by providing efficient and cost-effective methods for identifying potential drug candidates. Within CADD, ligandbased virtual screening techniques play a pivotal role in the early stages of drug discovery. This review provides a comprehensive overview of ligand-based drug virtual screening, focusing on its principles, applications, challenges, and future directions. Fundamentals of ligand-based virtual screening, including pharmacophore-based methods, similarity searching, and machine …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 11, Issue 2, 2024 · pp. 1–8 Read article
-
Analysis of Bioinformatics Software Applied in Computer-Aided Drug Design
Abstract: The integration of bioinformatic tools with computational methods has revolutionized the field of Computer-aided Drug Design (CADD), enabling researchers to expedite the discovery and optimization of new therapeutics. This review provides an in-depth analysis of the bioinformatic tools utilized in CADD, encompassing molecular docking, molecular dynamics simulation, virtual screening, homology modelling, and molecular visualization. We go over the tenets, approaches, and uses of these instruments, emphasizing their value in expediting …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 2, 2024 · pp. 1–10 Read article
-
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
-
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
-
Computer Aided Drug Designing for Targeted Drug Delivery Systems
Abstract: The discovery and development of a contemporary sedate is widely acknowledged as an extremely difficult task that requires significant resources and effort. Therefore, computer-aided medication design techniques are widely utilized today to increase the productivity of the drug discovery and development process. Among structure-based and ligand-based drug design approaches, both recognized for their efficiency in drug discovery and development, various CADD (Computer-Aided Drug Design) techniques are evaluated based on specific …
Published in Trends in Drug Delivery · Vol. 11, Issue 2, 2024 · pp. 34–41 Read article
-
Quantitative Structure-activity Relationship in Computer-aided Drug Design: A Review
Abstract: Quantitative Structure-Activity Relationship stands at the forefront of Computer-Aided Drug Design, providing a systematic framework for understanding the relationship between the chemical structure of molecules and their biological activity. The present review delves into the multifaceted realm of quantitative structure-activity relationship methodologies within the landscape of drug discovery. Through an exploration of diverse quantitative structure-activity relationship models, molecular descriptors, validation techniques, and recent advancements, the present article aims to elucidate …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 2, 2024 · pp. 55–63 Read article