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117 articles for “In silico study”
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Techniques of Atomic Structure Orbit Potential of The Frequency Characteristics of Silicon Element
Abstract: This study explores the technological applications and material integration of semiconductor materials, with a focus on their electronic properties and practical implementations. The investigation primarily addresses four key objectives: analyzing the electronic band structure and density of states (DOS) of semiconductor materials, evaluating the band alignment in heterojunctions, and integrating these materials into practical technological applications. Using a simplified tight-binding model, we compute and plot the electronic band structure of …
Published in Journal of Thin Films, Coating Science Technology & Application · Vol. 11, Issue 3, 2024 · pp. 16–32 Read article
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In Silico Screening and Evaluation of Some Metabolites from Momordica charantia in the Treatment of Peptic Ulcers
Abstract: Peptic ulcers are also called as or duodenal ulcers or gastric ulcers that are open sores generally develop in the lining of the stomach due to food and climatic factors. H. pylori infections are potentially the most dangerous and are linked to several diseases like diabetes, cancer, cardiovascular diseases, etc. In the present study, in silico screening and evaluation of some metabolites from Momordica charantia like Momorcharin, Momordicin, Metformin, Pioglitazone, …
Published in Research and Reviews : Journal of Computational Biology Read article
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Enhancing Mechanical and Thermal Properties of Glass Fiber-Reinforced Epoxy Composites with Silicon Carbide Additives
Abstract: This study explores the production and characterization of glass fiber-reinforced epoxy resin composites enhanced with silicon carbide (SiC) as a reinforcing filler. The primary objective is to evaluate the impact of SiC on the mechanical, thermal, and morphological properties of the composites. Four different samples with varying SiC weight fractions (0%, 5%, 10%, and 15%) were prepared, keeping the glass fiber content constant. The composites were fabricated using a combination …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 69–77 Read article
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Evaluating the therapeutic effects of Asystasia gangetica (Chinese violet) on the chronic respiratory condition- Asthma
Abstract: Asthma is a chronic condition affecting the respiratory system. Its symptoms affect the immune pathways via helper T-cells. The plant Asystasia gangetica is prevalent throughout tropical regions around the world. It has been used in some herbal remedies to relieve symptoms of asthma. This study used computational techniques to assess the effectiveness of several phytocompounds present in A. gangetica in relieving symptoms of Asthma. Three proteins associated with asthma, namely …
Published in Research and Reviews: A Journal of Toxicology · Vol. 15, Issue 1, 2025 · pp. 15–21 Read article
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Investigating the Mechanical Properties and Microstructure of AA 7074 Composites with Silicon Nitride Reinforcement
Abstract: This study investigates the mechanical and microstructural properties of AA 7074 aluminium alloy reinforced with 1%, 3%, and 5% by weight of silicon nitride (Si₃N₄), fabricated via the stir casting method, intended for structural aerospace applications. A thorough series of mechanical tests—comprising tensile, compression, hardness, impact, flexural, and wear tests—was performed to assess the influence of differing reinforcing content. The composite containing 5 wt% Si₃N₄ (SN5) demonstrated the most pronounced …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 268–281 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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In-Silico Screening of Phytochemicals for Identification of Alternative Therapy for Thyroid Cancer
Abstract: Thyroid cancer remains a significant health concern globally, necessitating the exploration of novel therapeutic alternatives to improve treatment outcomes. This study targets COT kinase (Cancer Osaka Thyroid Kinase), a protein implicated in the progression of thyroid cancer, using molecular docking methods with various phytochemicals to identify potential therapeutic compounds. PyRx and Discovery Studio were employed to evaluate the interactions and binding affinities of a diverse set of natural compounds with …
Published in International Journal of Toxins and Toxics · Vol. 2, Issue 2, 2025 · pp. 31–55 Read article
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Sequence analysis, DNA Methylation and Molecular therapy of Oral cancer caused by Human Papilloma Virus
Abstract: DNA methylations with oral cancer are been associated with high-risk Human Papillomavirus (HPV) and Epstein-Barr Virus (EBV) onco-proteins interactions may cooperate to increase disease severity. The work focused on human papillomavirus strain 16, a high-risk, sexually transmitted responsible for 95% of all cervical cancers and a large portion of oropharyngeal cancers. The prediction of genes from has shown seven genes from HPV16 strain. Based on gene identification studies, Human papilloma …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 4, Issue 2, 2026 · pp. 1–9 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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In Silico Docking Analysis to Identify Therapeutic Benzoic Acid Derivatives for Acute Myeloid Leukaemia
Abstract: Background: The study is anchored to initiate subjugation against modern cancer therapy for Acute Myeloid Leukaemia (AML) which involves natural therapeutics as an alternative therapy that would degrade the prospect of adverse side effects along with anti-cancer properties. Objectives: Collate the various characteristics of Giltertinib with natural benzoic acid derivative phytochemicals for a disquisition regarding their similarities and differences in the context of providing adverse side effects. Methods: ADME toxicity …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 · pp. 50–63 Read article
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Exploring the Therapeutic Potential of Phytochemicals in Aloe Barbadensis Miller Through Molecular Docking for Ulcerative Colitis Management
Abstract: Ulcerative colitis (UC) is a chronic inflammatory bowel disease characterized by mucosal inflammation of the colon, often associated with immune dysregulation and oxidative stress. Natural compounds have gained significant attention as alternative therapeutic agents due to their efficacy and minimal side effects. Quercetin, a flavonoid abundantly found in Allium cepa (onion), has demonstrated potent anti-inflammatory and antioxidant properties. This study employs an in silico approach to evaluate the therapeutic potential …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 13, Issue 1, 2026 · pp. 06–12 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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Comparative Study of Drain Current of Symmetric and Asymmetric DG-MOSFET with Simulation in Silvaco TCAD Software
Abstract: One of the most attractive and promising devices for the nanoscale devices is the double gate MOSFET. The double gate MOSFET can control the Si channel very efficiently and it chooses a very small width of the Si channel. It controls the Si channel by applying gate contact to either side of the channel. The idea of controlling the S channel in such a way reduces the short channel effects …
Published in Journal of Semiconductor Devices and Circuits 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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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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Molecular Docking Study: Targeting mycobacterium leprae ML2640 Protein Using Active Compounds from Coscinium fenestratum
Abstract: Objectives: Leprosy is an infectious disease in skin, peripheral nerve and mucosa of upper airway. Around 70% of this infection is caused by Mycobacterium leprae, which was discovered during1873. Multi drug therapy is used for the treatment, still multiple drug resistance and reactions has been reported among patients. Hence, this work focused on identifying bioactive compounds from Coscinium fenestratum that can target mycobacterium leprae ML2640 protein by in-silico approach. Method: …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 2, 2023 · pp. 21–33 Read article
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Fabrication and Mechanical Characterization of Hybrid Metal Matrix Composite Castings
Abstract: This work investigates and addresses the casting of a novel hybrid composite material with tungsten carbide and aluminum-silicate particles mixed at varying weight fraction rates. Production of hybrid composite has some advantages if it is processed by near net shape techniques. The simplest method for dealing with this hybrid composite is the turbulence produced by the vortex agitating technique. The vortex mixing method is used in this study to create …
Published in Journal of Experimental & Applied Mechanics · Vol. 15, Issue 3, 2024 · pp. 32–38 Read article
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AR Coatings in Solar Efficiency: A Study
Abstract: In the global race toward renewable energy dominance, the focus often fixes upon the exotic materials within the photovoltaic cell: silicon type, junction structure, or emergent perovskites. Yet, the most immediate and profound efficiency gains are often secured by a layer so thin it is invisible, a film of optimized material applied directly to the glass interface: the Anti-Reflective (AR) coating. These coatings are not merely an expensive aesthetic choice; …
Published in Journal of Thin Films, Coating Science Technology & Application · Vol. 12, Issue 3, 2025 · pp. 26–35 Read article
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Enhanced Thermal Stability and Thermophysical Properties of High Density Polyethylene Based Polymer Composite Synthesized Through Compression Moulding Route
Abstract: Polymer composite materials attract researchers as polymers can be filled with different fillers to get desired properties. Thermophysical properties of HDPE-silicon composite is reported in the present study. HDPE-Si composite was synthesized by hot compression and molding technique for different silicon volumetric ratio. Thermal conductivity as well as thermal diffusivity was found to be enhanced significantly on increasing the filler volumetric ratio. Thermal conductivity value for 20 volume % composite …
Published in Journal of Polymer & Composites · Vol. 11, Issue 5, 2023 · pp. 1–16 Read article
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E-glass Fiber Epoxy Composites: Role of Al2O3/SiC Fillers in Physical, Flammability and Mechanical Characteristics
Abstract: This study investigates the effects of varying weight percentages of Silicon Carbide and Alumina particles in epoxy-based composites, fabricated through compression molding, on their physical and mechanical properties. Comparing different studies on carbon fiber-reinforced polymer (CFRP) composites, as well as glass fiber-reinforced polymer (GFRP) composites, especially with the reinforcement of nanoparticles such as silicon carbide (SiC), alumina (Al2O3) and graphene. The investigations cover fabrication methods, like vacuum infusion and compression …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 238–250 Read article