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618 articles for “Drug–protein interactions (DPIs)”
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Drugs for Alzheimer’s Disease from Salix Alba Discovered Computationally Utilizing Virtual Screening and Docking against 1b41 Protein
Abstract: Objective : The of this research is to evaluate the feasibility of using molecular docking techniques to identify novel acetylcholinesterase, a key enzyme implicated in the pathogenesis of Alzheimer’s disease, a neurodegenerative disorder with a gradual but steady progression to death, due to the gradual accumulation of beta-plaques and neurofibrillary tangles, as well as a decline in acetylcholine levels. Due to its function in converting acetylcholine into acyl and choline …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 2, 2023 · pp. 07–19 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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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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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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Screening Phytocompounds of Tinospora cordifolia to Find Potential Drug Targets for Cystic Fibrosis
Abstract: This study aimed to evaluate the therapeutic potential of phytocompounds derived from Tinospora cordifolia in treating cystic fibrosis (CF), a genetic disorder caused by mutations in the CFTR gene that lead to severe respiratory and digestive complications. Phytocompounds were retrieved from the IMPPAT database and subjected to molecular docking simulations using PyRx to assess their binding affinity to the CFTR protein. The top-scoring compounds – sterol, magnoflorine, tembetarine, kaempferol, and …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 3, Issue 1, 2025 · pp. 16–24 Read article
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Drug abuse in Teenagers
Abstract: Teenage drug abuse is a significant public health concerns with far - reaching consequences. This abstract provides on overview of the prevalence, contributing Factor and consequences of drug abuse among adolescents. Drug abuse remains persistence and multifaceted issue globally, affecting individual’s families and society. Factors that influence the teenagers to experiment with drugs, including peer pressure, family dynamics and predisposition. The abstract also describes the various substance abused by teenagers, …
Published in International Journal of Toxins and Toxics · Vol. 1, Issue 2, 2024 · pp. 15–25 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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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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Labeling transparency and heavy metal contamination in commercial protein powders: A case study
Abstract: With the recent surge in market demand, health supplements particularly protein powders, have become increasingly vulnerable to quality deterioration, adulteration, and unethical marketing practices. Non-compliance with labeling regulations is on a rise. Moreover, research indicates that heavy metals absorbed from contaminated soil often accumulate in the protein fractions of crops, thereby elevating the risk of heavy metal contamination in protein powders. These issues highlight the urgent need to systematically assess …
Published in International Journal of Nutritions · Vol. 3, Issue 1, 2026 Read article
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Strategies to Improve Drug Compliance Among Patients with Mental Disorders: A Systematic Review
Abstract: Background: Mental disorders constitute a public health concern, accounting for 13% of the global disease burden. Pharmacotherapy along with psycho education is primary line of treatment and maintaining drug compliance is crucial. Aim: The aim of this systematic review was to summarize the strategies to improve drug compliance among patients with mental disorders, identify which tools are most frequently used to measure strategies to improve drug compliance among patients with …
Published in International Journal of Evidence Based Nursing And Practices · Vol. 3, Issue 1, 2025 · pp. 74–81 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 Structure-based Design Approach to Catharanthus roseus Phytoconstituents as Potential Inhibitors of B-Cell Lymphoma 6 Protein
Abstract: Objectives: Lymphoma is a cancerous disease. It develops into millions of people worldwide. Identify the naturally active compounds from Catharanthus roseus, they have multiple values in the medicinal field of Siddha, and Indian Ayurveda are used as a disease-preventing agent. Drug illness prediction, toxicity prediction, statistical information, molecular docking, as well as absorption, distribution, metabolism, and excretion (ADME) analysis are used to predict the fit ligand as a drug. Methods: …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 14–34 Read article
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Emerging Therapies for Diabetes Mellitus: Efficacy and Safety of USFDA-Approved Drugs and Late-Stage Clinical Trials
Abstract: This review provides a comprehensive analysis of drugs approved by the U.S. Food and Drug Administration (USFDA) for managing diabetes mellitus (DM) from 2013 to 2022, including emerging treatments from phase 3 clinical trials during this period. Over the past decade, the treatment landscape for diabetes has evolved significantly, with new therapies not only improving blood sugar control but also targeting broader health outcomes like heart and kidney health. In …
Published in International Journal of Toxins and Toxics · Vol. 2, Issue 2, 2025 · pp. 11–23 Read article
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In Silico Molecular Docking of Indigofera tinctoria Phytocompounds to Target EGFR/ERK and FGFR/FGF Pathway Proteins Involved in Prostate Cancer
Abstract: Objective: Prostate cancer being the second major cause of cancer-related deaths in males, affects the small walnut-shaped gland below the bladder called the prostate gland. The epidermal growth factor protein (EGFR), cascade protein (ERK), and fibroblast growth factor proteins (FGFR and FGF) are involved in the different signaling pathways that lead to the formation of different products, that are responsible for the progression of cancer and thus can be considered …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 34–56 Read article
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Uncovering the Comparative Efficacy of Antiviral Drugs and Caricapapaya Phytocompound as VP2H inhibitors in Ebola virus: An Insilico Molecular Docking Analysis
Abstract: The Ebola virus is a fatal disease that transmits from wild animals to humans. Infected individuals' body fluids such as spit, blood, perspiration, faeces, blood, saliva, breast milk, sperm, or fomites can transmit Ebola. Adhesion to cell membranes and penetration into the host organism are essential aspects in viral growth. The presence of VP24, as well as nucleoproteins and structural proteins, is necessary for nucleocapsid formation and integration. The inhibition …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 62–78 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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Advances in Solubility Enhancement Strategies for Poorly Water-soluble Drugs: A Comprehensive Review
Abstract: Solubility enhancement holds significant importance in the field of pharmaceutical research as it aims to augment the solubility and bioavailability of drugs that possess low solubility. Poorly soluble drugs pose a considerable challenge in drug development due to their tendency to display inadequate absorption, bioavailability, and therapeutic efficacy. The advancement of solubility enhancement techniques encompasses a wide range of approaches, including physical and chemical methods, as well as innovative technologies …
Published in International Journal of Vaccines · Vol. 1, Issue 1, 2024 · pp. 01–09 Read article
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Evaluation of Polysaccharide-Based Membranes for Transdermal Drug Delivery in Chronic Pain Management
Abstract: In order to improve treatment effectiveness and patient compliance, chronic pain management is still a major challenge in modern healthcare, requiring creative medication delivery methods. The potential of polysaccharide-based membranes for transdermal drug delivery is assessed in this work, with particular attention to chitosan, alginate, and hydroxypropyl methylcellulose (HPMC). Fourier-transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) were two characterization techniques used to assess the membranes' physical and chemical …
Published in International Journal of Membranes · Vol. 1, Issue 2, 2024 · pp. 28–38 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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A Molecular Docking Study: Targetting HIV-1 Integrase Protein Against Selected Phytocompounds from Calophyllum Lanigerum
Abstract: Objectives: The most common form of HIV that causes AIDS is HIV-1. The World Health Organization has estimated roughly 75 million plus HIV-1 infections till date and roughly 40 million deaths (as of 2021). Thus, this study was done to identify natural compounds from Calophyllum lanigerum, a medicinal plant largely endemic to South-East Asia, to inhibit the spread of this disease. It did so by using molecular docking methods, Lipinski …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 2, 2023 · pp. 43–55 Read article