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161 articles for “In silico”
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Investigation, Fabrication and Testing of Spur Gear Using Composite Material
Abstract: Composite materials constitute one of the favorable, efficacious material zones for tomorrow’s sustainable future through identification of materials with higher strength to weight ratio. A composite material is combination of two or more different materials with varied qualities that work together to create a material that is better than the sum of its parts. Therefore, finding some alternative material for various mechanical applications to accelerate the Indian composite industry is …
Published in Journal of Experimental & Applied Mechanics · Vol. 16, Issue 2, 2025 · pp. 1–8 Read article
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Enhancing Mechanical Performance in Reinforced Hybrid Composites using Silicon Carbide and Aluminium Oxide Fillers
Abstract: Hybrid composites are becoming useful because they have better qualities than regular composites. This study examines the conventional properties of composites that utilise SiC and Al2O3 as filler components. Kevlar, S-glass, and sisal fibers at 90° and 0°, followed by additional layers of S-glass and Kevlar. To make sure that the material qualities were the same throughout, the resin and fibre layers were arranged in an alternating pattern. Mechanical testing …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 934–945 Read article
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In Silico Pharmacological Evaluation of Certain Commercially Available Terpenoids As Αlpha-Amylase Inhibitors for The Management of Diabetes Mellitus.
Abstract: The objective of this study was to investigate the α-amylase inhibitory activity of certain commercially available terpenoids using in silico docking studies. In this perspective, terpenoids like Abietane, Artemisinin, Carvone, Cucurbitane, Ferruginol, Lupeol, Nerolidol, Retinol, Sabinene, and Zingiberene were selected. Glibenclamide, a well-known antidiabetic drug was used as the standard. In silico docking studies were carried out using AutoDock 4.2, based on the Lamarckian genetic algorithm as the working principle. …
Published in Research and Reviews : Journal of Computational Biology Read article
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Performance Improvement of Polymer and Silicon Solar Cells Using Transition Metal Oxide Interfaces
Abstract: Fossil fuels are running out, which is contributing to greenhouse gas emissions and climate change due to the world's growing energy demand. Renewable energy, which is environmentally friendly, is crucial for balancing the demand and supply of energy in our society.The non-traditional energy source with the fastest rate of growth is solar cells, which use photovoltaic technology to convert sunlight into electrical power.Conjugated polymers and large molecules are used in …
Published in Journal of Polymer & Composites · Vol. 12, Issue 5, 2024 · pp. 66–75 Read article
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In silico analysis of Abrus precatorius L. as a potential agonist of PPARγ : A novel approach to the treatment of diabetes
Abstract: Diabetes mellitus is a chronic disorder that is characterized by a lack of insulin secretion by the pancreas or a defect in insulin action, or both. If diabetes is not controlled, over time it can cause damage to blood vessels and nerves, leading to life-threatening complications such as, kidney damage, heart disease and vision impairment. It can also weaken the immune system, making patients more prone to infection. Although treatments …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 Read article
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In Silico Investigation of 2,3-Dihydrobenzofuran from Centella asiatica: A Possible Pioneer in the Management of Tetanus
Abstract: Objective: Tetanus toxin (TeNT) is a neuroprotein toxin, the most toxic known. They have three functional domains and are structurally similar. They possess an N-terminal catalytic section (light chain), an internal domain for heavy-chain translocation (HN domain), and a C-terminal receptor binding domain for the heavy chain (Hc domain or RBD). Tetanus, an acute nerve-affecting disease, is provoked by a toxin-producing bacterium called Clostridium tetani. This bacterium is environmental, Gram-positive, …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 19–30 Read article
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An in-silico toxicity study of the phytocompounds found in Pongamia pinnata leaves using the ProTox-II web server
Abstract: The aim of the current study was to determine the Insilco toxicity of the phytocompound present in the leaves of Pongamia pinnata. The leaves of Pongamia pinnata have long been used in traditional medicine for their therapeutic properties. Nowadays, herbal toxicity is a common problem caused by incorrect dosage. The FDA reviews the safety and effectiveness of herbal products only in response to patient or health care provider complaints—problems with …
Published in Research and Reviews : Journal of Crop science and Technology · Vol. 13, Issue 1, 2024 Read article
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1D-Nano-Scale Porous Silicon (1D-Psi) as Optical Sensor Device
Abstract: This research article embarks on a thorough experimental inquiry into the detection of kerosene adulteration in petrol, employing a sophisticated one-dimensional microcavity of nano-scale porous silicon (1D-PSMC) sensing device. The significance of this investigation stems from the detrimental consequences of petrol adulteration, which not only aggravates environmental pollution but also jeopardizes the functionality and durability of machinery components, thereby posing significant economic and environmental challenges. The 1D-PSMC, designed to function …
Published in Journal of Polymer & Composites · Vol. 12, Issue 5, 2024 · pp. 69–75 Read article
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In-Silico Studies of Phytochemicals from Allium sativum with H5N1 Protein in Avian Influenza
Abstract: Allium sativum or garlic is a medicinal plant that is reported for its applications in many biological activities, such as its antiviral, antidiabetic, and anti-inflammatory properties, etc. In this paper, the focus has been the identification of potential phytochemicals that can be extracted from Allium sativum that can act as a candidate for drug formation that possesses the capability to inhibit the H5N1 Avian Influenza, a type of highly pathogenic …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 2, 2024 · pp. 50–60 Read article
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Study of Ablation Characteristics Carbon Fiber Reinforced Plastic with Silicon Carbide Pores
Abstract: Significant thermal stress is placed on spacecraft during atmospheric re-entry, primarily due to aerodynamic heating. This intense heat can cause severe material damage threatening the spacecraft's structural integrity. To address this challenge, efforts are focused on improving the ablation resistence of spacecraft components. In this work, carbon fiber reinforced plastic (CFRP) composites containing silicon carbide (SiC) holes are explored as a potential solution for enhancing thermal protection system. Four different …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 617–627 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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Investigating The Alkalizing Potential of Chandanasava For Restoring Acid-Base Homeostasis in Renal Tubular Acidosis: A Computational and In Silico Pharmacological Study
Abstract: Chandanasava, a traditional Ayurvedic formulation, is recognized for its potential alkalizing properties, which may help restore acid-base homeostasis in conditions such as renal tubular acidosis (RTA). This study aims to investigate the active components of Chandanasava and their interactions with key renal target proteins, Pendrin and Carbonic Anhydrase II, which are essential for maintaining acid-base balance. An in silico approach was utilized to explore the pharmacological potential of the phytochemicals …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 28–52 Read article
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Mechanical Characterization of Hybrid Basalt Fiber Composites with Silicon Carbide Fillers
Abstract: Natural fiber composites (NFCs) have experienced significant growth and innovation in recent research because to their advantages over synthetic fiber composites, including their lower cost and environmental impact. This paper investigates the tension and compression properties of hybrid laminate composites composed of stainless-steel wire mesh, epoxy resin reinforced with basalt fibre, and silicon carbide (SiC) filler. Composites with varying weight percentages of SiC filler (0%, 1.5%, and 3%), were made …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 582–593 Read article
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Exploring Abies grandis phytocompounds potential by in silico analysis targeting on the 5P9J Protein
Abstract: Blood Cancer, also popular with name ‘Hematologic cancer’ have variety of types: Leukaemia, Lymphoma, Myeloma, uncontrolled multiplication of blood cells mainly affecting to bone marrow and blood cells (White Blood Cells). Lymphoma, originating from lymphatic system resulted in uncontrolled growth and instead of normal apoptosis development of tumor. Myeloma, uncontrolled formation of malignant plasma cells leads disrupting production of healthy blood cells. This situation creates variety of diseases like anaemia, …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 Read article
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In Silico Screening of Terminalia chebula Phytocompounds as Potential Inhibitors of NTCP and DDB1 in Hepatitis B Virus Infection
Abstract: Hepatitis B virus (HBV) infection is a major global health concern, and chronic carriers are at risk of developing cirrhosis, hepatocellular carcinoma (HCC), and even death. Existing treatments can effectively inhibit viral replication, but they achieve little eradication of the virus because of covalently closed circular DNA (cccDNA) retention. In this investigation, bioactive compounds of Terminalia chebula, a plant known for its hepatoprotective and antiviral properties in traditional medicine, were …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 13, Issue 1, 2026 · pp. 33–44 Read article
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Silicon Symphony: The Science of Semiconductors Circuits
Abstract: Modern electronics are built on the foundation of semiconductor circuits, which precisely and efficiently control the flow of electrical impulses. This article takes a look at the underlying physics of semiconductor materials and how their unique electrical properties allow the design and functioning of diodes, transistors and integrated circuits. This study links microscopic scientific principles to the behaviour of real circuits. It considers essential concepts such as charge carriers, doping …
Published in International Journal of Solid State Innovations & Research · Vol. 4, Issue 1, 2026 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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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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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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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