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81 articles for “drug-likeness”
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Molecular Docking and Pharmacokinetic Profiling of the Phytocompounds of Jatropha curcas as Antagonist for Salmonella typhi
Abstract: Background: Typhoid is an infection caused by the Gram-negative bacterium, Salmonella enterica serovar typhi. The study assessed the potential use of Jatropha curcas as a typhoid fever therapy alternative to traditional medications. The ability to uncover novel drug indications for currently available medications using in silico methods has increased thanks to the wealth of pharmacological and biological knowledge that is available. Objective: In this study, we assessed the potential inhibitory …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 1, 2023 · pp. 67–81 Read article
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Multiple Sclerosis: A Brief Overview of the Disease, Its Pharmacotherapy
Abstract: Multiple Sclerosis is an autoimmune disorder mostly affecting individuals aged between 20-40. In this disorder, the optic, vertebral, and central nervous system nerves are primarily impacted. It is a neurological condition that worsens over time and is characterized by inflammation and the breakdown of the sheath that surrounds and shields the nerve fiber. Common symptoms may include muscle weakness, numbness, tingling, fatigue, vertigo, tremor, vision complications, pain, Lhermitte sign, sexual …
Published in International Journal of Brain Sciences · Vol. 1, Issue 1, 2024 · pp. 13–18 Read article
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Multitarget Molecular Docking Using Curcuma longa Phytocompounds for Polycystic Ovary Syndrome Treatment
Abstract: Objective: The primary goal of this research is to understand and describe specific aspects of molecular interaction, it includes studying various aspects such as binding affinity, binding mode, and stability of the ligand-protein complex. Molecular docking is a computational technique used to predict the preferred orientation of one molecule to a second when bound together to form a stable complex. In this study, molecular docking will be employed to stimulate …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 1, 2024 · pp. 15–28 Read article
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Targeting PTPN22 in Arthritis: Molecular Docking and Pharmacokinetic Evaluation of Artemisia vestita Compounds
Abstract: Rheumatoid arthritis (RA) is a long-term autoimmune condition characterized by inflammation of the synovial membrane, commonly resulting in swelling, pain, stiffness, and overall fatigue. Protein tyrosine phosphatase non-receptor type 22 (PTPN22) has been identified as a risk factor linked to various autoimmune diseases, including RA. In the PTPN22 gene, two missense Single nucleotide polymorphisms (SNPs) are associated with autoimmune conditions. The R620W (C1858T, rs247660) variant in exon 14 has been …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 20–31 Read article
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In-Silico Docking of Rubia cordifolia Phytocompounds as Potential MMP-2 Inhibitors for Varicose Vein Management
Abstract: Varicose veins are one of the most common disorders, affecting the vein structure and function of lower limbs, yet there has been no absolute cure found yet. One of the underlying causes for worsening of the condition is the proteolytic activity of MMPs which are a group of enzymes that affect the extracellular matrix (ECM) surrounding the affected veins. Phytocompounds of Rubia cordifolia (Manjishta) were docked against the MMP-2 protein …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 3, Issue 2, 2025 · pp. 31–42 Read article
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Molecular Docking Studies of Nyctanthes arbor-tristis Phytochemicals for Targeting TNF Receptor in Arthritis
Abstract: Rheumatoid Arthritis is an autoimmune disorder which results in inflammation. Tumor necrosis factor-alpha (TNF-α) is responsible for the progression of inflammatory arthritis by promoting immune cell activation and cytokine release. The present study explores the potential of bioactive compounds derived from Nyctanthes arbor-tristis (Parijat) in modulating TNF receptor activity through molecular docking. Computational methods were employed to evaluate the binding affinity of selected phytocompounds from N. arbor-tristis against the extracellular …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 11–21 Read article
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Cosmeceuticals: Integrating Therapeutic Functionality into Cosmetic Science
Abstract: Cosmeceuticals are a quickly growing group of skincare products that are in between cosmetics and drugs. These products have biologically active components that are said to provide medical or drug-like advantages for a number of skin problems, including ageing, hyperpigmentation, acne, and damage from the sun. Cosmetics are not medications, but cosmeceuticals are made to affect skin function at the cellular level. This article talks about what cosmeceuticals are, how …
Published in Recent Trends in Cosmetics · Vol. 2, Issue 2, 2025 · pp. 19–35 Read article
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Innovative Approaches in Pediatric Drug Formulation Catering to Specialized Need: Review Article
Abstract: This detailed article review examines innovations in pediatric drug formulation, highlighting developments that cater to children’s specific healthcare needs. It covers pediatric pharmacology and advanced solutions like nanoparticle drug delivery and taste-making techniques, focusing on improving the safety, effectiveness, and acceptability of medications for young patients. The review highlights the benefits for patients, including improved adherence to treatment, fewer side effects, and better overall treatment outcomes. It also addresses regulatory …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 3, Issue 1, 2025 · pp. 35–43 Read article
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Pharmacoinformatic Based Screening Of Phytocompound Epigallocatechin Gallate To Identify As A Potential Bcl-2 Inhibitor
Abstract: Objectives: The B-cell lymphoma-2 (Bcl-2) is a protein that is particularly though to be involved in preventing apoptosis. Bcl-2 family members also essential for cancer survival, and its over expression has been linked to tumor genesis, development and resistance to anticancer treatments. The Bcl-2 family of members that inhibit apoptosis is a promising target for the creation of anticancer drugs. Methods: The study was based on computational approach using different …
Published in International Journal of Bioinformatics and Computational Biology Read article
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Amlodipine induced peripheral edema and gingivitis – A case report.
Abstract: Calcium channel a group of drugs used to treat heart disorders are called blockers. These drugs dilate blood vessels and improve blood flow to heart, these works by preventing calcium flow through ion -specific (L- type) calcium channels in the cell membrane. Amlodipine, a calcium channel blocker in the dihydropyridine class, can cause peripheral edema and drug-induced gingivitis in some patients. In this case, the patient experienced swelling in the …
Published in International Journal of Tropical Medicines · Vol. 2, Issue 1, 2025 · pp. 45–49 Read article
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The Rise of Fractional Calculus: Novel Applications in Engineering and Biological Systems
Abstract: Fractional calculus (FC) is an advanced mathematical framework that generalizes the classical concepts of differentiation and integration to non-integer, or fractional, orders. This extension of traditional calculus allows for the modeling of complex dynamic systems that exhibit behavior not easily captured by integer-order differential equations. Over the last few decades, fractional calculus has seen a rapid rise in popularity, particularly in applied mathematics, engineering, and biological sciences, due to its …
Published in Recent Trends in Mathematics · Vol. 1, Issue 2, 2024 · pp. 7–11 Read article
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Crystallographic Studies on The Stability of Pharmaceutical Compound
Abstract: Crystallographic studies provide detailed insights into the molecular structure and intermolecular interactions within a crystal lattice, which are key determinants of a compound's stability. By analyzing crystal structures, researchers can identify potential polymorphs, solvates, and hydrates that may impact the physical and chemical stability of the drug. This knowledge helps in optimizing formulation strategies, predicting shelf life, and ensuring consistent drug performance. Advanced techniques like X-ray diffraction and neutron diffraction …
Published in International Journal of Crystalline Materials · Vol. 1, Issue 1, 2024 · pp. 38–42 Read article
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Pharmacoepigenomics of Replication Timing: How Anti- Cancer Drugs Reshape Chromatin Domains and Mutational Landscapes.
Abstract: DNA replication timing serves as a fundamental epigenetic feature that organizes genome function during the cell cycle (3), while anti-cancer drugs profoundly alter this process to disrupt tumor growth(4). These agents target chromatin architecture, shifting replication domains and reshaping mutational patterns critical for cancer evolution (1,5). DNA replication timing (RT) domains serve as dynamic epigenetic organizers, partitioning the genome into early- and late-replicating regions that correlate with chromatin states, gene …
Published in International Journal of Molecular Biotechnological Research · Vol. 4, Issue 1, 2026 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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Introduction to Biological Networks and their Contributions to Systems Biology
Abstract: Biological networks provide a conceptual framework to represent and analyze the intricate interconnections among the numerous components that make up living systems. This review paper elucidates the foundational principles of networks and their diverse applications in systems biology, highlighting their crucial role in understanding the inherent complexity of biological processes. Utilizing graph theory, these networks represent entities like genes, proteins, and metabolites as nodes, with their interactions depicted as edges. …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 53–70 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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Innovative Antifungal strategies: Terbinafine hydrochloride in Niosomal carriers
Abstract: Onychomycosis, an infection caused by fungi that affects fingernails or toenails, causes the nails to grow, separate from the nail bed, and become discoloured. While anybody can get, those with weakened immune systems, children and the elderly are especially susceptible. Present study was related to formulate an effective nail lacquer that would treat onychomycosis by utilizing Terbinafine hydrochloride. In this study, niosomes of a medication called terbinafine hydrochloride, an antifungal …
Published in International Journal of Fungi · Vol. 2, Issue 2, 2025 · pp. 1–16 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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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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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