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43 articles for “Virtual screening”
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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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In Silico Molecular Docking Studies of Phytocompounds from Melissa officinalis Against MPXV Poxin Target
Abstract: Objectives: This study aimed to evaluate the inhibitory potential of phytocompounds of Melissa officinalis against the MPXV poxin protein target, a key virulence factor in monkeypox infection. Methods: Molecular docking performed using PyRx, a virtual screening software, was conducted to predict the binding affinities of the compounds to MPXV poxin. Prior to docking, the compounds were subjected to comprehensive analysis, including Lipinski's rule of five, evaluation of physicochemical properties, pharmacological …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 25–38 Read article
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Stilbenes: A Molecular Docking and ADMET Analysis Approach on an Emerging Resource for Scavenging Reactive Oxygen Species in the Field of Colon Malignancy
Abstract: Objective: Colon malignancy, also referred to as colon cancer, originates as precancerous polyps in the colon or rectum, which have the potential to thrive and progress into cancerous tumors over time. This study delves into various bioactive compounds (from natural sources like plants) to assess their potential efficacy in inhibiting colon malignancy as compared to conventional methods. Methods: The objective of this study was to employ computational methodologies to evaluate …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 14, Issue 3, 2024 · pp. 29–38 Read article
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Exploring The Therapeutical Potential Of Pongamia Pinnata For Herpes Simplex Virus Type 1 (HSV-1)
Abstract: Objective: Pongamia pinnata (L.), commonly known as Indian beech or pongam tree, is a tropical plant renowned for its medicinal properties in traditional medicine systems. Extracts derived from various parts of Pongamia pinnata have demonstrated antimicrobial, anti-inflammatory, and immunomodulatory activities. Such attributes make it a compelling candidate for exploring its therapeutic potential against HSV infections. Thymidine kinase is the target protein mostly used in the treatment of HSV1 infections. In …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 15, Issue 1, 2025 · pp. 1–9 Read article
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Revolutionizing Anti-Allergy Medications: A Comprehensive Review of Target Discovery and Medicinal Chemistry
Abstract: Above the past few decades, the prevalence of allergy illnesses has been steadily rising, impacting 20–30% of the world's population. Multiple targets are involved in allergic reactions to infections of the skin, digestive tract, and respiratory system. Developing medications with a good curative efficacy and minimal side effects while utilizing novel multi-targets and processes in accordance with the clinical features of various allergic populations and allergens is the primary challenge …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 1, 2023 · pp. 49–54 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 Analysis and Molecular Docking Studies of COX-2 Inhibitors for Anti-Inflammatory Activity
Abstract: Although nonsteroidal anti-inflammatory drugs (NSAIDs) are frequently used to treat pain, lower fevers, and control inflammation, they frequently cause gastrointestinal side effects because they inhibit the COX-1 and COX-2 enzymes. Despite their effectiveness and lack of gastrointestinal side effects, selective COX-2 inhibitors have been linked to cardiovascular risks. To find new COX-2 inhibitors that are safer and more effective, this study uses in silico techniques, such as molecular docking and …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 38–55 Read article
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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
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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
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Molecular Docking Analysis of Berberis aristata Phytocompounds as Potential Growth Factor Receptor Blockers in Cancer Therapy
Abstract: Middle-aged and older women are susceptible to breast cancer (BC), a potentially fatal condition. When breast cancer is diagnosed, the median age is 62. Breast cancer diagnoses in women under 45 are comparatively uncommon, whereas the bulk of breast cancer diagnoses occur in women 62 and older. Growth factor receptors are interesting therapeutic targets because of their critical role in the pathophysiology of cancer. Vascular endothelial growth factor receptors (VEGFR-2) …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 1–10 Read article
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Exploring Oroxylum indicum Phytochemicals as VEGFR-2 Inhibitors: A Molecular Docking Approach for Cancer Management
Abstract: Cancer is still a major health problem around the world and is one of the top causes of death. A protein called VEGFR-2 (vascular endothelial growth factor receptor 2) is important because it helps blood vessels grow by supporting the survival, movement, and growth of certain cells. This process is essential for tumors to grow and spread to other parts of the body. This study focused on evaluating the binding …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 48–62 Read article
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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
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In silico Molecular Docking Analysis of Stephania glabra phytocompounds Targeting Thymidylate Kinase for potential Antituberculosis Activity
Abstract: Tuberculosis (TB) is an infectious disease caused by the bacteria Mycobacterium tuberculosis. It mainly affects the lungs and spreads through the air when a person with active TB in their lungs coughs, sneezes, or spits. This study investigates several bioactive compounds derived from plants to forecast how effective plant-based ligands will be at preventing tuberculosis. The purpose of the study was to use computational techniques to assess the effectiveness of …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 Read article
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Targeting Papain-Like Protease of Re-Emerging Coronaviruses
Abstract: Re-emerging Corona viruses (CoVs), including SARS-CoV (S-CoVs), and SARS-CoV-2 (S-CoV-2), continue to pose a global health threat due to their high mutation rates, zoonotic spillover potential, and capacity for immune evasion. The global pandemic of year 2019, caused by S-CoV-2, has highlighted the importance for robust antiviral strategies beyond vaccines and RNA polymerase or main protease inhibitors, which are susceptible to resistance. One promising therapeutic target is the S-CoV-2 papain-like …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 15, Issue 3, 2025 · pp. 46–62 Read article
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Virtual Clothes Try-On
Abstract: Virtual try-on of clothes is gaining popularity thanks to its commercial potential. It can be used for intelligent recommendation or online purchasing to reduce the selection to a few designs and sizes. Through this project we aim to create a mechanism that enables users to see themselves wearing virtual clothes while looking at a screen display, without taking off their actual clothes. We aim to stimulate the selected clothes on …
Published in International Journal of Algorithms Design and Analysis Review · Vol. 1, Issue 1, 2023 · pp. 16–20 Read article
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Breaking Boundaries: A Comprehensive Review of Screenless Display Technology
Abstract: This review explores new ways of showing images without traditional screens. We cover technologies like holography, where images appear to float in space, and retinal projection, which projects images directly onto your eye. We also discuss virtual retinal displays, which draw images on your retina using lasers, and augmented reality (AR), which overlays digital content onto your real-world view.Visual picture, Synaptic interface, Virtual Retinal Display. This primarily elucidates and illustrates …
Published in International Journal of Optical Innovations & Research · Vol. 1, Issue 2, 2023 · pp. 34–40 Read article
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HCI: A Systematic Review of Trends, Challenges, and Future Directions
Abstract: The field of human-computer interaction (HCI), which connects people and technology, is becoming increasingly important and developing quickly. By emphasizing intuitive interaction, user-focused design, and overall system usability, it contributes to the development of more intelligent, responsive, and human-centered systems. This thorough analysis explores the many uses of HCI, such as mobile and multi-screen platforms that demand smooth, cross-device interactions and immersive settings like the Metaverse, where users interact within …
Published in Journal of Multimedia Technology & Recent Advancements · Vol. 12, Issue 3, 2025 · pp. 10–16 Read article
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21st Century Cognitive Landscapes: Integrating ICT-Driven Pedagogies for Holistic, Inclusive Education
Abstract: The rapid advancement of Information and Communication Technology (ICT) has revolutionized digital pedagogies, reshaping modern education by improving accessibility, learner engagement, and academic outcomes. This review critically explores the psychological ramifications of digital learning environments while assessing the effectiveness of ICT tools in fostering inclusive and sustainable education. By integrating insights from contemporary research, this paper examines the impact of digital pedagogies on cognitive function, emotional health, and social interactions …
Published in International Journal of Education Sciences · Vol. 2, Issue 2, 2025 · pp. 75–81 Read article
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Molecular Docking of Nigella Sativa Phytocompound as Inhibitors of Transcription Factors NF-KB Implicated in Rheumatoid Arthritis
Abstract: Objectives: Nigella sativa, a plant considered around the world as the most treasured nutrient-rich herb for centuries together in different civilizations, is exceptionally known for its high levels of antioxidant properties. Free radical intensification due to oxidative stress plays a key role in the pathogenesis of rheumatoid arthritis by activating the NF-KB protein that regulates the expression of the genes involved in inflammation. Methods: This study involves in-silico approach to …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 2, 2024 · pp. 42–55 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