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178 articles for “molecular methods”
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QSAR Modeling of a Novel Series of Methoxylated Chalcones as Antioxidant Agents Against Gram-Positive Bacteria Staphylococcus aureus
Abstract: Background: Chalcones are aromatic ketones belonging to the flavonoid family. They are plant-based compounds and are widely found in nature. For centuries, these bioactive molecules have been utilized in various traditional medicines for the treatment of several ailments. Chalcones have antibacterial, antiviral, antimalarial, antifungal, antioxidant, and antileishmanial properties. They are also used to treat inflammation and cancer. Chalcones act as angiogenesis inhibitors, an important factor in cancer progression and metastasis. …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 3, Issue 1, 2025 · pp. 28–34 Read article
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Exploring Glucagon-like peptide-1 as a Target Protein for Diabetes Mellitus Treatment: Molecular Docking and Pharmacokinetic Analysis of Phytocompounds from Momordica charantia
Abstract: Objective: This study aimed to use molecular docking techniques to explore the potential of GLP-1 (glucagon-like peptide-1) as a target protein for the treatment of diabetes mellitus, a chronic metabolic disease marked by elevated blood glucose levels. Given its crucial role in maintaining insulin secretion and glucose homeostasis, GLP-1 may serve as a future target for diabetes therapy. Method: The study employed a multi-phase method. Initially, protein extraction was carried …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 1, 2024 · pp. 8–20 Read article
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Review on Computer-Aided Drug Design in RAS Inhibitor Discovery
Abstract: This review explores the utilization of computer-aided drug design (CADD) methodologies in the discovery of inhibitors targeting the RAS pathway, a pivotal signaling cascade implicated in various cancers. Through an extensive examination of computational tools, methodologies, challenges, and recent advancements, this review aims to provide insights into the role of CADD in accelerating RAS inhibitor discovery. The discovery of effective inhibitors targeting the RAS pathway is of paramount importance in …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 3, 2024 · pp. 7–14 Read article
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Cartridge-Based Nucleic Acid Amplification for Rapid Tuberculosis Diagnosis
Abstract: In terms of public health, tuberculosis continues to have a significant impact on people's lives. The process of determining the underlying cause of a sickness or condition in a patient is known as clinical diagnosis. It entails the use of numerous diagnostic methods, including physical examinations, laboratory testing, and imaging procedures for medical purposes. Smear microscopy, which are frequently utilized, have poor sensitivity and lengthy turnaround times, respectively. An innovative, …
Published in International Journal of Pathogens · Vol. 1, Issue 1, 2024 · pp. 43–48 Read article
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In Vivo Biocompatibility and Interfacial Stability of Thermoplastic Polyurethanes and Nanofilled Resin Composites: A Bioanalytical Study of Polymer-Host Interactions Under Dynamic Loading
Abstract: The widespread application of thermoplastic polyurethanes (TPU) and nanofilled resin composites in biomedical devices requires rigorous assessment of their biocompatibility under mechanical stress. While nanofilled composites utilize filler particles (<100 nm) to enhance surface properties and wear resistance, the biological response to these materials in a hydrolytic, enzymatic environment remains a critical area of investigation. Objective: To analyze the in vivo bio-molecular response at the interface of TPU aligners and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1112–1119 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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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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Investigation and Concerns on the Mechanics Behind Grain Refinement During ECAP Operation with Applications to Polymers
Abstract: Materials science and engineering have studied Equal Channel Angular Pressing (ECAP) grain refining. This abstract discusses important findings and concerns about grain refining mechanics during ECAP.A adaptable severe plastic deformation method; ECAP refines grain patterns in many metallic materials. Many researches have attempted to understand this phenomenon's complex mechanisms. Microhardness and microstructure (morphology) of AL alloy increase with the increase in pass numbers. It is observed that the mechanical property …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 1–11 Read article
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Synthesis and Characterization of Polymer-Based Benzamide Derivatives with Potential Biomedical Applications
Abstract: The present study explores the synthesis and characterization of polymer-supported benzamide derivatives, focusing on their potential biomedical applications. The use of polymer-supported synthesis offers several advantages, including improved reaction efficiency, ease of purification, and reusability of the support material, making it an environmentally friendly and cost-effective approach. The synthesis involved a stepwise reaction sequence, with polymeric supports facilitating controlled functionalization and ensuring high product purity. These materials have been widely …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 Read article
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Inhibition of PI3K/Akt/mTOR Signaling Pathway by Vitis Vinifera Phytocompounds: A Promising Strategy for Supressing Colorectal Cancer Growth and Metastasis
Abstract: Objectives: Colorectal cancer was not typically identified a few decades ago. Today, with almost 900 000 fatalities each year, it is the fourth most dangerous cancer in the world. Colorectal cancer is responsible for about 10% of all cancer diagnoses annually and cancer-related deaths worldwide. It is the second most common type of cancer in women and the third most common type in men. Incidence and death are roughly 25% …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 · pp. 64–75 Read article
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Synergistic Integration of MEMS and Spintronics for Precision Data Analytics in Cheminformatics
Abstract: The transformational potential of merging spintronics and Micro-Electromechanical Systems (MEMS) technologies in cheminformatics is investigated in this work. Recent advancements in MEMS, particularly through the use of microbeam sensors and accelerometers, enhance the precision of data collection and processing, especially in biomedical applications such as drug delivery systems and chemical sensing. The synchronization of oscillations in MEMS devices leads to improved reliability and data accuracy, enabling the development of sophisticated …
Published in International Journal of Cheminformatics · Vol. 2, Issue 1, 2024 · pp. 20–26 Read article
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Development of Anti IgG Polyclonal Antibody Against Canine IgG and Their Roles in Diagnostic Purposes
Abstract: IgG plays an important part in immunological studies and also in living bodies for providing secondary immune response which triggers as passive immunization against harmful pathogens in dogs. Purpose: The aim of this investigation is to separate, identify, and refine immunoglobulin G from canine serum. Methods: Ammonium sulphate precipitation was used to separate the dog's serum, which was then concentrated over night in a dialysis bag inside of a refrigerator. …
Published in International Journal of Vaccines · Vol. 1, Issue 2, 2024 · pp. 01–06 Read article
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Exploring the Potential of Allium sativum Phytocompounds as B-Cell Leukemia 2 Inhibitors in Acute Lymphoblastic Leukemia: Molecular Docking Study
Abstract: Objective: Acute lymphoblastic leukemia (ALL) is a lymphoid progenitor cell malignancy that could be treated with plant-based drugs, thus alleviating the off-target effects caused by conventional chemotherapy. Since ancient days, Allium sativum has been an integral part of traditional medicine and an excellent antimicrobial, antioxidant, and antiproliferative agent. Hence, this study aims to assess the anti-leukemic potential of A. sativum phytoconstituents as the B-cell leukemia 2 protein (Bcl-2) natural inhibitor …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 53–80 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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Analytical Study on DNA-based Modern Cryptographic Techniques
Abstract: Today, as the amount of information being stored and shared continues to grow rapidly, ensuring the security of that information has become more important than ever.To ensure information security, a variety of techniques are employed, including traditional cryptographic methods such as substitution and transposition techniques, hashing functions, and encryption algorithms like DES, RSA, AES, IDEA, and ECC. DNA cryptography is also new emerging technique for providing security to data and …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 7–15 Read article
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Vitamin D Mitigates Inflammation and Downregulates Importin α3 in Non-Alcoholic Fatty Liver Disease (NAFLD)
Abstract: Background: Pro-inflammatory cytokines, such as TNF-α, IL-1β, IL-6, and IL-8, seem to play a crucial role in the progression of NAFLD as they activate the transcription factor NF-кB. The activated NF-кBp50/RelA subunits are translocated to the nucleus by Importin α3 and Importin α4. Numerous studies have indicated a negative association between NAFLD and vitamin D levels. Low vitamin D levels have been correlated with histological severity, necro-inflammation, and fibrosis in …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 1–16 Read article
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Study of Electrically Conductive Polymer for Antistatic and Sensor Application
Abstract: Electrically conductive polymers (ECPs) are a unique category of smart materials that integrate the mechanical flexibility and ease of processing characteristic of conventional polymers with the electrical conductivity typically associated with metals or semiconductors. In recent years, they have attracted considerable interest due to their promising potential in advanced technological applications, especially in antistatic coatings and electronic sensing devices. The unique ability of these polymers to conduct electricity arises from …
Published in International Journal of Minerals · Vol. 3, Issue 1, 2026 · pp. 46–51 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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Drugs for Alzheimer’s Disease from Salix Alba Discovered Computationally Utilizing Virtual Screening and Docking against 1b41 Protein
Abstract: Objective : The of this research is to evaluate the feasibility of using molecular docking techniques to identify novel acetylcholinesterase, a key enzyme implicated in the pathogenesis of Alzheimer’s disease, a neurodegenerative disorder with a gradual but steady progression to death, due to the gradual accumulation of beta-plaques and neurofibrillary tangles, as well as a decline in acetylcholine levels. Due to its function in converting acetylcholine into acyl and choline …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 2, 2023 · pp. 07–19 Read article
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Integrated, Geospatial Risk Assessment of Air, Water, and Soil Pollution Impacts on Agricultural Sustainability using Advanced Digital Technologies
Abstract: The systemic threat posed by the convergence of air, water, and soil contaminants represents a critical challenge to global agricultural resilience and food security. Traditional, site-specific pollutant monitoring methods are insufficient for capturing the dynamic, diffuse, and often nonlinear nature of environmental risk pathways that permeate agrarian landscapes. This study presents a robust framework for comprehensive risk assessment utilizing a synergistic suite of modern tools designed for spatial, temporal, and …
Published in International Journal of Environmental Noise and Pollution Control · Vol. 3, Issue 2, 2025 · pp. 28–37 Read article