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618 articles for “Drug–protein interactions (DPIs)”
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Repurposing Approved Immunomodulatory Drugs for Target Proteins in the Pancreas of European eel: A Molecular Docking Approach
Abstract: Leishmaniasis is a disease caused by tiny parasites called Leishmania, which spread to humans through the bite of an infected female sand fly. The disease manifests in three different forms, and the protein calcitonin promotes the disease’s spread. By reducing blood calcium levels, inhibiting osteoclast activity, increasing calcium excretion, and possibly playing a role in neurotransmitter modulation, calcitonin, a hormone released by vertebrates, promotes the progression of pathogenesis and lessens …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 12–19 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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Computational Identification of Antigenic Proteins and Epitopes in Hantavirus sp. for Drug Repurposing
Abstract: Hantavirus is an emerging virus that spreads from animals to humans and can cause serious illnesses like hantavirus pulmonary syndrome (HPS) and hemorrhagic fever with renal syndrome (HFRS). there are no FDA-approved treatments available for these diseases. This study explores in-silico drug repurposing as a strategy to identify potential therapeutic candidates. The physicochemical, secondary structure, antigenicity, and post-translational modification analysis of hantavirus proteins – specifically the glycoprotein precursor, N protein, …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 20–26 Read article
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A Short Review on Application of Fish Proteins in Functional Foods
Abstract: Functional foods contain specific nutrients that have beneficial physiological benefits, such as lowering the risk of chronic diseases and improving overall health. Functional foods are created by adding additives that have been shown to enhance health. This review article investigates several fish-derived products as functional dietary components, with an emphasis on fish protein hydrolysates (FPH), fish protein concentrate (FPC), fish collagen, fish gelatine, fish enzymes, fish protein powder (FPP) and …
Published in International Journal of Marine Life · Vol. 1, Issue 2, 2024 · pp. 7–16 Read article
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Advanced Computational Models for Predicting Molecular Interactions
Abstract: Understanding molecular interactions is essential for a number of disciplines, including biochemistry, materials science, and medication development. Traditional experimental methods, while accurate, are often time-consuming and expensive. Advanced computational models have emerged as powerful tools to predict molecular interactions efficiently. In order to predict the behavior and interactions of molecules at the atomic and subatomic levels, this paper reviews the most recent developments in computational techniques, such as machine learning …
Published in International Journal of Advance in Molecular Engineering · Vol. 2, Issue 1, 2024 · pp. 8–13 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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Innovations in Tuberculosis Management: Advancements in Drug-Resistant TB Treatment and Rapid Diagnostics
Abstract: Tuberculosis (TB) remains one of the deadliest infectious diseases worldwide, exacerbated by the increasing prevalence of drug-resistant strains, such as multidrug-resistant (MDR-TB) and extensively drug-resistant TB (XDR-TB). Despite advancements in first-line and second-line treatments, resistance to conventional antibiotics has complicated therapeutic strategies, necessitating novel approaches. This mini review explores emerging advancements in TB treatment, including gene editing technologies, such as CRISPR, which offer potential for precise targeting of drug-resistant bacterial …
Published in International Journal of Antibiotics · Vol. 2, Issue 2, 2025 · pp. 1–7 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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In Silico Drug Design for Mycobacterium tuberculosis and Development of Host–Pathogen Interaction Network and Molecular Docking Procedures
Abstract: Objective: A leading cause of illness is the contagious disease tuberculosis (TB), this infection with Mycobacterium tuberculosis complex (MTBC) particularly M. tuberculosis and M. africanum, is what causes tuberculosis. Diverse receptor proteins (mycobacterial proteins) with various 3D structures and functions were evaluated to access the multi-domain antimycobacterial action of ligands. The specific receptor proteins PDB ID: 3PTY, PDB ID: 4OW8, PDB ID: 5KWA, and PDB ID: 3ZXR, were opted for …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 1–19 Read article
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Deciphering Th-Related Gene Interactions in Chronic Spontaneous Urticaria: Bioinformatics Insights and Drug Affinity Exploration
Abstract: Objective: There has been a great deal of interest in how inflammatory dermatosis and The cell interact, but the etiopathogenesis of chronic spontaneous urticaria (CSU) is still inadequately comprehended. Through bioinformatics techniques, the purpose of this work is to elucdate the molecular mechanism underlying Th-related genes in CSU and seeks to find the highest affinity drug. Methods: The CSU RNA expression profiling dataset provided the basis for the investigation. The …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 2, Issue 1, 2024 · pp. 1–15 Read article
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Bio-Inspired Membranes in Oral Drug Delivery: A Pathway to Enhanced Permeability and Targeted Therapy
Abstract: Bio-inspired membranes in oral drug delivery represent a significant advancement in pharmaceutical technology, harnessing principles of natural biological systems to improve drug permeability, bioavailability, and targeted release. This review discusses the design, materials, and fabrication techniques used in bio-inspired membranes, with a focus on materials like chitosan, silk fibroin, and synthetic polymers that mimic biological structures. By exploring the mechanisms of drug permeation, such as mucoadhesion and selective permeability, bio-inspired …
Published in International Journal of Membranes · Vol. 1, Issue 2, 2024 · pp. 39–52 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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Study on Chemical Insights into Alzheimer's Disease: Amyloid Beta and Tau Protein Interactions
Abstract: Background: Alzheimers disease (AD) is the most prevalent form of dementia, affecting millions of individuals worldwide and posing significant challenges to healthcare systems. The disease is characterized by a gradual decline in cognitive functions, particularly memory, reasoning, and the ability to perform daily activities. Aim & objective: To study chemical insights in alzheimers disease, especially amyloid beta and tau protein interactions Results & discussion: The results of this review highlight …
Published in International Journal of Brain Sciences · Vol. 2, Issue 1, 2025 · pp. 37–46 Read article
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In Silico Prediction of Multitarget Mechanism of Quinoline and Its Analogs on Phosphoinositide-3-Kinase Pathway Proteins
Abstract: Objective: Phosphoinositide 3-kinases (PI3Ks), the target of rapamycin (PI3K/Akt/mTOR, PAM), are a family of enzymes that play a role in the growth, proliferation, differentiation, motility, survival, and intracellular trafficking of cells, all of which are essential for healthy cellular function and are also connected to cancer. In this study, quinoline and its derivatives were employed to analyze its inhibition activity on the phosphoinositide-3-kinase pathway. Methods: In this work, eight phytocompounds …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 57–76 Read article
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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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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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Drug Marketing in Tropical Regions and Its Effect on Pharmacovigilance Awareness and Reporting
Abstract: Drug marketing practices in tropical regions present a complex interplay between pharmaceutical promotion, healthcare infrastructure limitations, and public health outcomes. These regions – characterized by high disease burden, socio-economic disparities, and diverse healthcare delivery systems – often experience unique challenges in ensuring safe and rational drug use. Aggressive and sometimes unregulated marketing strategies by pharmaceutical companies may significantly influence prescribing behavior, patient compliance, and, ultimately, pharmacovigilance systems. Pharmacovigilance, defined as …
Published in International Journal of Tropical Medicines · Vol. 3, Issue 2, 2026 · pp. 1–17 Read article
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In Silico Analysis and Docking Study of the Active Phyto Compounds of Ginkgo Biloba Against Alzheimer's Amyloid-Beta Protein
Abstract: Objective: Alzheimer's disease, an age-related progressive neurological condition, arises due to the accumulation of amyloid-beta protein within the brain. In this study, an attempt was made to explore the potential of natural compounds derived from Ginkgo, known for their diverse medicinal properties, in the prevention of the disorder by employing molecular docking techniques, conducting drug-likeness prediction assessments, and performing ADME analysis. Methods: Amyloid beta protein was retrieved from the PDB …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 Read article
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Interaction of Bioactive Component of Aframomum melegueta on Molecular Docking
Abstract: Computational mimicry of the structure of large complexes created by di- and poly-interaction of molecules has been termed molecular docking. The purpose of molecular docking is the prediction of the three-dimensional structures of interest, this is due to that docking only produces plausible candidate structures. The docking was carried out between the bioactive compounds against 5α-reductase, 3β-hydroxy-steroid dehydrogenase, and 17β-hydroxy-steroid dehydrogenase of returned binding energy, BE (kcal/mol) between -5.9 and …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 1, 2024 · pp. 51–60 Read article
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Drug Repurposing of Anticancer Agents JP-8g and REDX05358 Against the Target Protein Plectin 1a in Epidemolysis Bullosa Simplex with Muscular Dystrophy (EBS-MD)
Abstract: Epidermolysis Bullosa Simplex with Muscle Dystrophy is a genetic disease affecting the skin and muscles which can be seen at birth or start at adulthood due to the mutation in the protein Plectin 1a (PLEC gene) causing skin blisters and muscle weakness. This protein is seen in sarcolemma, Z disks in skeletal muscles, hemidesmosomes in skin and cardiac muscles giving stability to cytoskeleton, playing a crucial role in neuromuscular transmission …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 22–34 Read article