Search
163 articles for “molecular interactions”
-
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
-
Molecular Docking Analysis of Phytocompounds from Ficus hispida Aagainst Epidermal Growth Factor Receptor Kinase Domain
Abstract: The Epidermal Growth Factor Receptor (EGFR) kinase domain plays a key role in cancer, as it promotes tumour growth and helps cancer cells survive, making it an important focus for developing treatments. Through comprehensive computational analysis, this study investigates the anticancer potential of phytocompounds from Ficus hispida, a medicinal plant renowned for its diverse bioactive compounds, as novel EGFR inhibitors. Molecular docking techniques using Py Rx software were employed to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 Read article
-
Molecular Docking Analysis of Phytocompounds from Ficus hispida Against Epidermal Growth Factor Receptor Kinase Domain
Abstract: The Epidermal Growth Factor Receptor (EGFR) kinase domain plays a key role in cancer, as it promotes tumour growth and helps cancer cells survive, making it an important focus for developing treatments. Through comprehensive computational analysis, this study investigates the anticancer potential of phytocompounds from Ficus hispida, a medicinal plant renowned for its diverse bioactive compounds, as novel EGFR inhibitors. Molecular docking techniques using Py Rx software were employed to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 48–62 Read article
-
Unravelling the Environment, Aroma, and Molecular Effects on Mood Fluctuations: A Review
Abstract: The ebb and flow of human emotions encompass a complex interplay of molecular processes governing mood fluctuations. This comprehensive review navigates the intricate realm of neurotransmitters, neuroplasticity, hormonal influences, genetics, and inflammation to unravel the molecular tapestry that shapes our emotional states. Foundational to mood regulation are neurotransmitters – serotonin, dopamine, and norepinephrine – orchestrating delicate balances within neural circuits. Recent molecular neuroscience elucidates their receptor pathways and signaling cascades, …
Published in Research and Reviews: A Journal of Neuroscience · Vol. 14, Issue 3, 2024 · pp. 14–20 Read article
-
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
-
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
-
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
-
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
-
Molecular Docking of Abroma augusta Phytocompounds Against Estrogen Receptor Alpha (Er-Α) for the Treatment of Menstrual Disorders
Abstract: Menstrual disorders, including dysmenorrhea (painful menstruation), amenorrhea (absence of menstruation), and irregular menstrual cycles, significantly impact women’s reproductive health and overall well-being. These conditions often arise from hormonal imbalances, inflammation, and uterine dysfunction, necessitating effective therapeutic interventions. Current treatments, such as hormonal therapies (oral contraceptives, progestin-only pills), NSAIDs, and surgical procedures (endometrial ablation, hysterectomy), provide relief but often target symptoms rather than addressing the underlying causes. Consequently, there is a …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 · pp. 1–12 Read article
-
The Art of Drug Design and Process Chemistry
Abstract: The creation of safe and efficient medications depends heavily on the art of drug design and process chemistry. This multidisciplinary discipline designs and optimizes drug candidates for therapeutic uses by fusing the concepts of biology, chemistry, and engineering. Researchers can develop compounds with pharmacological activity by using logical drug design techniques if they have a thorough understanding of the molecular targets implicated in disease pathways. By making it easier to …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 1–10 Read article
-
Harnessing Honeybee Venom For Cancer Treatment: A Natural Remedy In Oncology
Abstract: Honeybee venom (HBV) has harvested significant attention as a promising natural compound with therapeutic potential in cancer treatment. This review investigates deeply into the current scientific understanding of honeybee venom, focusing on its anticancer mechanisms, molecular interactions, and potential clinical applications. Honeybee venom comprises various bioactive components, including melittin, apamin, phospholipase A2, and other peptides, which exhibit a wide range of biological activities. Recent research has demonstrated its ability to …
Published in Research and Reviews: A Journal of Toxicology · Vol. 15, Issue 1, 2025 · pp. 10–14 Read article
-
Quantum Mechanics: Revolutionizing Pharmaceutical Sciences
Abstract: Quantum physics and pharmacy have generally been regarded as distinct areas—one investigates the microlevel behavior of non-living matter while the other concentrates on intricate biological systems. Nevertheless, progress in life sciences has increasingly depended on molecular-level insights, whereas quantum physics has advanced beyond basic principles to impact real-world uses. This intersection provides new opportunities for, pharmacy. Quantum entanglement, which allows for instantaneous relationships between particles, can be utilized for secure …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 12, Issue 1, 2025 · pp. 72–77 Read article
-
AI-based Drug Discovery-Revolutionizing Pharmaceutical Research
Abstract: The traditional drug discovery process is often costly, time-consuming, and prone to high failure rates. The advent of Artificial Intelligence (AI) has revolutionized this field by significantly enhancing efficiency, reducing costs, and improving success rates. AI-driven approaches, including machine learning (ML), deep learning (DL), and natural language processing (NLP), have transformed key areas such as drug target identification, molecular screening, lead optimization, and clinical trial design. AI models can analyze …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 2, 2025 · pp. 30–44 Read article
-
High-Performance Biodegradable Films from Bamboo Derived Cellulose Nanofibers and Silk Fibroin: Engineering Sustainable Polymer Composites
Abstract: This research presents the advancement of biodegradable composite films from cellulose nanofibers (CNFs) extracted from bamboo and silk fibroin (SF) derived from Bombyx mori cocoons. CNF/SF composites were fabricated in three different compositions—CS10, CS30, and CS50—via aqueous blending and solution casting, followed by ethanol-induced β-sheet stabilization. Mechanical testing confirmed a considerable enhancement in tensile strength from 72 MPa (CS10) to 112 MPa (CS50), while Young’s modulus improved from 2.4 GPa …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 256–265 Read article
-
Drug Induced Immune Mediated Nephritis: Molecular Mechanism , Pathways and Clinical Implications
Abstract: Drug-induced immune-mediated nephritis (DI-IMN) has become a more widely known cause of acute kidney injury (AKI), with the potential for development to chronic kidney disease if not detected and treated promptly. T-cell hypersensitivity to pharmaceuticals, such as antibiotics, proton pump inhibitors, nonsteroidal anti-inflammatory drugs, and immunological drugs, are the major causes for it. Beyond clinical burden, DI-IMN reflectsintricate molecular interactions that sustain interstitial inflammation and tubular injury. These interactions include …
Published in International Journal of Toxins and Toxics · Vol. 3, Issue 1, 2026 · pp. 13–29 Read article
-
Bioenhancer to Boost Herbal Drug Efficacy
Abstract: Bioenhancers are natural substances that significantly improve the absorption, bioavailability, and therapeutic efficacy of drugs when co-administered, without showing notable pharmacological activity of their own. In herbal medicine, the concept of bioenhancement has received growing attention as many phytoconstituents exhibit low oral bioavailability due to poor solubility, limited permeability, and extensive first-pass metabolism. The traditional Ayurvedic system first introduced this concept through the discovery of Piperine, the active alkaloid from …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 13, Issue 2, 2026 Read article
-
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
-
Integrative Network Biology Analysis of GSE6011 Uncovers Molecular Signatures in Duchenne Muscular Dystrophy
Abstract: Duchenne muscular dystrophy (DMD) is a rare, severe neuromuscular disorder demonstrated by progressive skeletal muscle deterioration and premature mortality. Despite advances in supportive care, no definitive cure exists, highlighting the need to explore novel molecular targets. The current study aimed to uncover key dysregulated genes and molecular pathways in DMD through a dataset-specific network biology approach. Publicly available microarray data (GSE6011) from DMD quadriceps muscle biopsies of 22 patients and …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 3, 2025 · pp. 36–48 Read article
-
An Insilico Study of Isobutrin and Phosphorylase Kinase - A Ray of Hope for Psoriasis Patients – Clinical Hypothesis
Abstract: Psoriasis is a chronic, hyper-proliferative and inflammatory skin disease. Increased levels of the calmodulin-containing enzyme, namely, phosphorylase kinase (PhK), were observed in the human epidermis of the active psoriasis cases. Thus PhK is a potential biomarker for the diagnosis and progression of the skin disease, namely, psoriasis. The search for the potential molecules that could supress the over expression of PhK is underway and any break-through in this direction leads …
Published in International Journal of Cheminformatics · Vol. 2, Issue 1, 2024 · pp. 1–8 Read article
-
In Silico Assessment of Demethoxycurcumin: Molecular Docking and Computational Insights into its various therapeutic Potential
Abstract: Natural compounds are increasingly explored for their therapeutic potential in medical research. Here, we focused on demethoxycurcumin (DMC), a polyphenolic bioactive compound extracted from Curcuma longa, commonly found in turmeric. DMC, with a chemical formula of C20H18O5 and a molecular weight of 340 g/mol, possesses two aromatic ring systems, each featuring a β-diketone moiety connected by a seven-carbon chain. This unique structure allows DMC to engage in tautomerism, which is …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 1, 2024 · pp. 9–15 Read article