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178 articles for “molecular methods”
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Generative AI-Based Inverse Design of Sustainable Biodegradable Polymers with Target Mechanical and Thermal Properties
Abstract: The escalating global plastic pollution crisis has intensified the urgent need for sustainable biodegradable polymer alternatives that can match or exceed the performance of conventional petroleum-based plastics while minimizing environmental impact. However, traditional polymer discovery approaches are severely constrained by high experimental costs, protracted development cycles spanning years, and fundamental inability to simultaneously optimize multiple conflicting material properties such as mechanical strength, thermal stability, and degradation kinetics. This study presents …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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Targeting Vasopressin 2 Receptor (V2R) in Renal Cystogenesis by Exploring the Nephroprotective Potential of “Terminalia arjuna”
Abstract: Objectives: Autosomal dominant polycystic kidney disease (ADPKD) is the most common inherited kidney disorder, leading to the formation of multiple cysts in the kidneys. It is a major cause of end-stage renal disease (ESRD), which often requires dialysis or a kidney transplant for survival. This research focuses on identifying potential bioactive compounds derived from natural sources that show promise for drug development targeting the V2R gene. Methods: The naturally occurred …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 14–24 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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Biological Membranes: Structure, Function, and Their Roles in Disease Pathophysiology
Abstract: Biological membranes are important structures that control cellular work, signal transmission, transport, and communication. Dysfunction of membranes has been considered in the development of many diseases, such as cancer, neurodegenerative diseases, and infections, with the distortion of lipid composition, protein activity, and cellular connections involved in the pathogenesis of the disease. The damage on membrane can be caused by oxidative stress, genetic mutation, and environmental influence to disrupt cellular homeostasis. …
Published in International Journal of Membranes · Vol. 3, Issue 1, 2026 · pp. 38–46 Read article
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Physics-Informed Generative and Tensor-Based Framework for DNA Sequence Simulation and Genomic Structure Discovery
Abstract: In this paper, we explore the intersection of artificial intelligence (AI) and mathematical physics to propose advanced methods for DNA sequence generation and analysis. Specifically, we investigate how physics-informed Generative Adversarial Networks (GANs) and tensor network representations can be harnessed to restructure DNA for applications in genetic science. The proposed methodology offers a unique integration of concepts of thermodynamic modeling with innovative GAN architecture in order to allow the creation …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 13, Issue 2, 2026 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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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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Stimulation of Plant Growth Promoting Rhizobacteria with ZnO Nanoparticles to Improve Growth and Development of Groundnut Plants (Arachis Hypogaea L.)
Abstract: Rhizobacteria that stimulate plant growth have been extensively utilized as biofertilizers to improve the nutrient content of the soil for various crop plants. In the present study, we have isolated plant growth promoting rhizobacteria (PGPR) for rhizospheric soil of groundnut crops from Gujarat agricultural fields in the Saurashtra region. Fifty-two isolates with particular colony characteristics were obtained from rhizospheric soil. All strain was tested for their plant growth promoting (PGP) …
Published in Journal of Polymer & Composites · Vol. 12, Issue 6, 2024 · pp. 253–269 Read article
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Exploration of 5-Hydroxybowdichione Flavonoids As Inhibitors of Dengue Virus Ns5 RNA-Dependent RNA Polymerase Using Molecular Docking Approach
Abstract: Objectives: Human lives are now seriously threatened by dengue fever, which is brought on by the dengue virus (DENV). Aedes aegypti mosquitoes, which reproduce in still water, are the primary vectors of the arboviral virus known as dengue. It is well-recognized that phytochemicals have a high potential to eliminate bacterial, viral, and fungal infections in people. Thus, it demonstrates its inhibitory effects on the dengue virus. This study identifies some …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 1, 2023 · pp. 1–16 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
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A Comparative Study of the Structure-Property Relationships in CAD/CAM Milled vs. 3D-Printed High-Performance Polymers: Impact of Molecular Orientation on Abrasive Wear
Abstract: Background: The transition from subtractive to additive manufacturing in prosthetic dentistry has introduced significant variations in the macromolecular architecture of high-performance polymers. While CAD/CAM milling utilizes high-density, industrially polymerized blocks, 3D printing (Additive Manufacturing) relies on layer-by-layer deposition, which may induce anisotropic molecular orientation. This retrospective study investigates how these distinct manufacturing "thermal histories" influence the long-term abrasive wear resistance of PEEK and PEKK restorations.Materials and Methods: Data were retrospectively …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Identification of Secondary Metabolites from Zingiber officinale as Inhibitors for Keap 1-Nrf2 small Molecules through Molecular Docking Techniques
Abstract: Objective: Therapeutic plants aid in treating cancer-based cell signaling pathways and preventing certain risk factors. Zingiber officinale has a variety of anti-inflammatory characteristics also contributing to enhanced immunity, reducing cancer risk and used to target the KEAP NRF2. When overexpressed in response to oxidative stress and DNA damage, elevates the risk of developing multiple cancers. NRF2 cellular sensors, which also control and coordinate their expression aid in defending healthy cells …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 35–48 Read article
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A Futuristics Pyrolysis Technique: Conversion of Waste Plastic Polybags Into Fuel
Abstract: Plastics are high molecular weight materials composed of repeating polymer units and can be classified based on factors like chemical composition, structure, stiffness, application types, and processing methods. A key environmental issue with plastics is their non-biodegradability, causing them to persist in the environment. Pre-consumer plastic waste includes manufacturing defects, rejected items, and excess materials produced during virgin plastic manufacturing. In India, around 15,342 tons of plastic waste are collected …
Published in International Journal of Advance in Molecular Engineering · Vol. 3, Issue 1, 2025 · pp. 1–13 Read article
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Computer Aided Drug Designing for Targeted Drug Delivery Systems
Abstract: The discovery and development of a contemporary sedate is widely acknowledged as an extremely difficult task that requires significant resources and effort. Therefore, computer-aided medication design techniques are widely utilized today to increase the productivity of the drug discovery and development process. Among structure-based and ligand-based drug design approaches, both recognized for their efficiency in drug discovery and development, various CADD (Computer-Aided Drug Design) techniques are evaluated based on specific …
Published in Trends in Drug Delivery · Vol. 11, Issue 2, 2024 · pp. 34–41 Read article
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Phytotherapeutic Potential of Melaleuca: An Integrative Review of Phytochemistry and Antimicrobial, Antifungal, Antioxidant, and Antiviral Mechanisms
Abstract: Melaleuca alternifolia and other species of the Melaleuca genus stand out for the broad spectrum of pharmacological properties attributed to their bioactive compounds, such as monoterpenes, sesquiterpenes, flavonoids, and polyphenols. This study aimed to critically review and analyze scientific evidence produced between 2005 and 2025 regarding the antimicrobial, antifungal, antioxidant, and antiviral activities of Melaleuca, correlating its phytochemistry with molecular mechanisms of action. For this purpose, an integrative literature review …
Published in Research & Reviews : Journal of Herbal Science · Vol. 15, Issue 2, 2026 Read article
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Computational Screening of Vitex negundo Compounds for Potential Arthritis Therapies in India
Abstract: Objective: Arthritis is a pervasive medical condition that manifests as inflammation and discomfort within the joints. As of September 2021, arthritis has affected an estimated 180 million people in India, making it a substantial public health concern with a considerable impact on individuals' quality of life and healthcare systems. Therefore, using molecular docking, drug-likeness prediction, and ADME analysis, an effort was made to identify natural compounds from Vitex negundo, which …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 01–18 Read article
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Sustainable Carbon Materials for Catalysis, Energy Conversion, and Environmental Remediation
Abstract: Among the most ancient and adaptable materials used by humans, carbon finds use in a wide range of industries, including electronics, energy production, medicine, water purification, air filtration, and catalysis. Among them, activated carbon's highly developed microporous structure, remarkably large specific surface area, and adjustable surface functions have drawn a great deal of attention from both science and industry. Activated carbon materials have been widely used as molecular sieves, adsorbents …
Published in Emerging Trends in Chemical Engineering · Vol. 13, Issue 2, 2026 · pp. 47–52 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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Anti Covid-19 Drugs Suggested by Computational Methods: A Review
Abstract: Background and aims: Long COVID refers to the persistence of illness in individuals who have survived from COVID-19 infection. This article reviews long covid and the use of in silico techniques in drug development for COVID-19. Results: Many COVID-19 survivors have long COVID, which has become a burden in daily life. Various attempts have been undertaken to relieve symptoms and manage it, but there is no cure as of yet. …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 1, 2023 · pp. 16–34 Read article
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Molecular Docking of Saraca asoca (Ashoka) Phytocompounds for Ovarian Cancer Therapy
Abstract: Objective: One of the top five cancers that causes death in women is ovarian cancer, with increases awareness till date the rate of survival is unpredictable. Even though there are advance treatments introduced, chemotherapy is most suggested to the ovarian cancer patients but the rate of relapses increased and the tumors get resistant towards the drugs. This present study is to evaluate the interaction of phytocompounds from Saraca asoca an …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 2, 2024 · pp. 27–35 Read article