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75 articles for “novel drug target/novel drug”
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Unlocking Novel Drug Targets and Therapeutic Advancements Against RNA Viruses: Insights from HMPV and SARS-CoV-2
Abstract: Re-emerging RNA viruses pose a significant epidemiological welfare threat due to their high mutation rates, potential for zoonotic transmission, and capacity to cause widespread outbreaks such as Human Metapneumovirus (HMPV), Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), Influenza, etc. The rapid evolution and re-emergence of these viruses necessitate the development of novel drug targets and therapeutic strategies to combat existing and future outbreaks. This study focuses on structural as well …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 15, Issue 3, 2025 · pp. 54–86 Read article
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In-Silico Repurposing of Antipsychotic Drugs Against Novel Protein Targets in Multidrug-Resistant Mycobacterium tuberculosis
Abstract: Multidrug-resistant TB is a growing worldwide health concern, particularly in high-burden areas. Resistance to frontline drugs like isoniazid and rifampicin is caused by mutations in key Mycobacterium tuberculosis proteins. Given the difficulty of developing new antibiotics, medication repurposing offers a good alternative. The potential use of molecular docking to target resistance-associated TB proteins with FDA-approved antipsychotic drugs is investigated in this work. Three proteins were selected: InhA (PDB ID: 5W07), …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 1, 2026 · pp. 49–63 Read article
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Zebrafish in Drug Research: Decoding Biological Mechanisms and Finding Novel Therapeutic Targets
Abstract: The zebrafish, scientifically known as Danio rerio, is a powerful model organism in biological research because of its favorable traits, which include rapid development, genetic tractability, and transparent embryos. Zebrafish were first identified for their use in studies of vertebrate development, but they have since spread to a variety of disciplines, such as pharmacology, clinical research as a disease model, and most notably, drug development. Zebrafish have emerged as a …
Published in Research and Reviews: A Journal of Toxicology · Vol. 15, Issue 3, 2025 · pp. 1–8 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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Flaxseed-Based Drug Delivery Systems: Advancing Colon Cancer Treatment
Abstract: Flaxseed (Linum usitatissimum) has long been appreciated for its rich nutritional profile, including essential fatty acids (such as α-linolenic acid), plant fibers, and lignans. Recent research has focused on its potential as a novel drug delivery system (DDS) for the treatment of colon cancer. This review explores the bioactive constituents of flaxseed, their pharmacological activities, and innovative approaches to the use of flaxseed extracts in drug delivery for the treatment …
Published in Emerging Trends in Personalized Medicines · Vol. 2, Issue 1, 2025 · pp. 54–59 Read article
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Exploring the Role of MAPK3 in Major Depressive Disorder: Molecular Docking, Dynamics, and Binding Free Energy Analysis of Natural Compounds as Alternatives to Conventional Drugs
Abstract: Major Depressive Disorder (MDD) is a prevalent neuropsychiatric disorder with limited treatment efficacy and significant side effects associated with conventional antidepressants. Recent studies have highlighted the role of mitogen-activated protein kinase 3 (MAPK3) in the mechanisms underlying MDD, positioning it as a potential target for the development of novel therapeutic drugs. In this study, we employed various computational approaches to explore natural compounds as viable alternatives to synthetic antidepressants. Researchers …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 53–68 Read article
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A Comprehensive Analysis of Novel Liposomes: Categorization, Approach, Description, and Present Formulations
Abstract: Liposomes have gained attention as a promising drug delivery system, which come with the advantages of biocompatibility, ability to load hydrophilic and hydrophobic drugs, and they can function for targeted drug delivery. In this regard, this paper offers a comprehensive overview on novel liposomes, including classification, formulation strategies, detailed structures, and current pharmaceutical applications. Recent advances in liposomal drug delivery systems includes, new liposomal architectures (i.e. stealth, targeted, stimuli-responsive, hybrid …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 2, 2025 · pp. 15–20 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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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
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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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Whispers of the Microbial World: Unveiling Bacterial Dialogues through Quorum Sensing
Abstract: Quorum sensing is a special way of bacteria by which they can regulate their own gene expression as per the population density of the bacteria. It is basically a type of cell-to-cell communication pathway used by the microbes. The signal molecule which helps in this mechanism are called auto inducer(AI). As the mechanism depends by changes in the cell density, so when the cell density reaches to the threshold cell …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 14, Issue 3, 2024 · pp. 1–8 Read article
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Development of Cost-Effective Nanocarriers for Targeted Drug Delivery in Cancer Therapy in India
Abstract: The growing challenge of cancer in India demands the development of novel treatment approaches that are efficient and less expensive in alleviating disparities related to healthcare access and optimizing outcomes. Among the possible options, the drug delivery systems utilizing nanocarriers have been developed and they provide greater therapeutic targeting, reduced systemic toxicity, and decreased treatment costs over time. In this research, we assess the degrees of awareness, affordability, and acceptability …
Published in Journal of Nanoscience, NanoEngineering & Applications · Vol. 15, Issue 3, 2025 · pp. 1–7 Read article
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Drug Resistance in Targeted Cancer Treatment: Clinical Difficulties, Molecular Mechanisms, and Emerging Strategies
Abstract: Targeted cancer therapy, which selectively inhibits the molecular mechanisms responsible for tumor growth and development, has revolutionized modern oncology. Targeted therapies have lower systemic toxicity and better therapeutic efficacy when compared to traditional chemotherapy. However, the emergence of medication resistance often limits the long-term efficacy of these treatments, ultimately resulting in treatment failure and disease progression. Drug resistance develops through a number of intricate biological processes and can be innate …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 17, Issue 1, 2026 · pp. 130–138 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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In-silico Approach of Few Selected Phytoconstituents on Newer Cancer Targets
Abstract: Background: Cancer’s high death rates are mainly due to, drug resistance and unmet medical demands. It necessitates novel anticancer medications. AI tools aid in efficient and faster drug discovery by analyzing data, modeling processes and optimizing pipeline stages. Aim: The aim of this present study is to evaluate phytoconstituents against novel and newer cancer targets. Methodology: The ligands Daidzein, Resveratrol and Genistein were targeted against the Glutamate dehydrogenase (PDB ID …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 3, 2024 · pp. 12–17 Read article
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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
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Integrating Network Pharmacology and Molecular Docking to Assess Rutin’s Pharmacological Properties
Abstract: Objectives: In the present research, the network pharmacology process was applied to determine the underlying mechanism of the pharmacological properties of Rutin. Network pharmacology was utilized to reveal the interactions between medications and the targets of illnesses, and it is capable of completely articulating the complexity between diseases and medications. The identification of diverse drug-target interactions using network pharmacology may be utilized to discover novel medications for difficult conditions like …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 20–33 Read article
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Integrating Network Pharmacology and Molecular Docking to Investigate Boerhavia diffusa for Pancreatic Cancer Treatment
Abstract: Objective: In this study, network pharmacology was applied to determine the therapeutic effects of the bioactive compounds of Boerhavia diffusa. Network pharmacology can unearth the underlying mechanisms between drugs and the disease targets and aids in the discovery of novel medications for complex conditions such as cancer. Methods: To predict the molecular mechanisms of action of Boerhavia diffusa in the treatment of was screened using the GeneCards database. The Venn …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 1, 2024 · pp. 29–49 Read article
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Molecular Dynamics and Therapeutic Architectures of Cannabinoid Receptors: A Comprehensive Review
Abstract: Expanding on these foundations, recent structural biology studies using cryo-electron microscopy have provided high-resolution insights into the conformational dynamics of CB₁ and CB₂ receptors. These findings have enabled a more precise understanding of ligand–receptor interactions, particularly how agonists, antagonists, and reverse agonists stabilize distinct receptor states. Such knowledge is critical for rational drug design, allowing researchers to selectively modulate downstream signaling pathways. For instance, CB₁ receptors primarily couple to Gi/o …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 36–40 Read article
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Computer-aided Drug Design Method for Anti-hepatitis C Drug Design
Abstract: Hepatitis C is a disease caused by the hepatitis C virus and can cause serious liver damage. There is currently no vaccine for this disease and the number of infections continues to increase worldwide. Currently used antiviral drugs are interferon alfa-2a and ribavirin, but about half of patients do not respond to therapy. Therefore, new drugs that protect against hepatitis C need to be investigated. Computational drug methods have been …
Published in Research and Reviews : A Journal of Immunology · Vol. 14, Issue 2, 2024 · pp. 1–8 Read article