Search
55 articles for “Ligand-Based”
-
Tinospora Sinensis Compounds for Zika Virus Targets 5JRZ and 5KVD In Silico Screening: A Potential Approach to Preventing Guillain-Barre Syndrome
Abstract: Objective: GBS is a very rare kind of disease but at the same time, it is very dangerous too. The study estimates that people who are suffering from zika virus infection are more prone to GBS. According to surveys, 1 out of 4000 people got affected by this disease, and the scariest part of this disease is that there is no cure available. In this computational era drug discovery is …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 · pp. 1–15 Read article
-
Magnetic and Radioactive Nanoparticles for Improved Theranostics and AI Assisted Radiation Therapy
Abstract: Nanoparticles based therapeutic and theranostics technique is becoming an active area of research in nanomedicine. The sensitivity, biocompatibility, and stability of magnetic and radioactive nanoparticles determine their functionality. This research highlights the impacts of magnetic and radioactive nanoparticles on therapeutic techniques namely, cell therapy, gene therapy, and tissue regeneration. Then, it is intended to brief a principal role of these therapeutic techniques to envisage theranostics medicine and radiation therapy using …
Published in International Journal of Advance in Molecular Engineering · Vol. 3, Issue 2, 2025 · pp. 10–21 Read article
-
Organometallic Osmium Compounds in Cancer Therapy
Abstract: The exploration of organometallic complexes with osmium as potential anticancer agents was indeed an area of ongoing research. These complexes were being investigated for their unique properties and mechanisms of action against cancer cells. However, it’s essential to note that the field of scientific research is dynamic, and new findings may have emerged since then. Organometallic complexes with osmium can be designed to exhibit specific features that make them promising …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 2, 2023 · pp. 01–25 Read article
-
A Comprehensive Review: Emerging Nanotechnology in Cancer Drug Delivery
Abstract: Nanotechnology has become a groundbreaking strategy in cancer therapy, especially in drug delivery systems, offering improved treatment effectiveness while minimizing the adverse effects associated with traditional methods. This review presents an in-depth analysis of recent progress in nanotechnology for cancer drug delivery, emphasizing the design, mechanisms, and practical applications of nanoparticle-based systems. Nanoparticles, such as liposomes, dendrimers, and gold nanoparticles, offer unique advantages, including improved drug solubility, targeted delivery to …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 27, Issue 1, 2025 · pp. 24–33 Read article
-
Modulating Immune System of Mosquitoes with A Novel Salicylate Derivative: A Bioinformatics-Based Study
Abstract: The present study aims to compare the interactions of a novel derivative of salicylic acid, 5-(2-nitroethynl) salicylic acid (5-SANA, salicylic acid nitroalkene), and salicylic acid with the critical residues of mosquito’s juvenile hormone binding protein (mJHBP). Given the better water solubility of 5-SANA and salicylic acid, it is believed that they can interact quicker than the natural substrate, juvenile hormone (JH), with the cavity of mJHBP, a circulating protein in …
Published in Research and Reviews : A Journal of Immunology · Vol. 16, Issue 1, 2026 · pp. 1–5 Read article
-
Thermosensitive and pH-Responsive Polymers for Smart Drug Delivery Systems
Abstract: Sensitive to temperature and pH, polymers are becoming a fascinating new class of material suitable for application in drug delivery systems. These polymers can be utilised in controlled release of medications as they change form depending on temperature and acidity. Thermosensitive polymers vary their formation and breakdown behaviour with temperature variations. They are therefore perfect for delivering pharmaceuticals to individuals as heat may be utilised to activate the medications at …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 479–491 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
-
Biodegradable Polymer Nanocarriers Composites for Biomedical Applications
Abstract: Smart polymeric nanocarriers, or SPNs, have evolved into a fascinating means of delivering medications especially to cancer cells. By improving the efficacy of chemotherapeutic treatments while lowering their negative effects, they have achieved a significant progress in exact medicine. Made to respond to certain elements in the tumours microenvironment, such as enzymes, temperature, pH, and redox conditions, these nanocarriers this reaction to triggers guarantees the release of the medicine at …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 293–305 Read article
-
Deciphering the Roles of Estrogen Receptors and 27-Hydroxycholesterol in BC Progression
Abstract: Breast cancer (BC) ranks among the top causes of cancer-related deaths in women worldwide. Many risk factors of BC are linked to estrogen. Experiments of Beatson in 1896 show the role of steroid hormones as major determinant in BC. Action of steroid hormones is mediated by their receptors including Estrogen receptors (ERs). ERs are part of a subfamily of ligand-regulated transcription factors. Their primary role is to translate hormone signals …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 2, Issue 2, 2024 · pp. 18–26 Read article
-
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
-
In Silico Identification of Therapeutic Agents for Dengue Virus by Molecular Docking
Abstract: The dengue virus causes serious health issues and a loss of quality of life. Dengue poses a yearly threat to half of the world’s population. The drugs that are based on allopathy are expensive and also exhibit toxic effects on tissues and biological activities. It is also generally accepted that most pharmacologically active drugs, including those derived from medicinal plants, are isolated from natural sources. The present study is directed …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 2, 2026 · pp. 01–14 Read article
-
Targeting Dystrophin Restoration and Neuroprotection in Duchenne Muscular Dystrophy: Insights from Withania somnifera
Abstract: Duchenne muscular dystrophy is a genetic disorder. This disease affects men more common than women. Main objective of the present study was to identify the naturally active phytocompounds from Withania somnifera (Ashwagandha). Ashwagandha has a great value in the field of Ayurveda and Indian medicine and is used for treating muscular and neurological disorders. Toxicity prediction, molecular docking, statistical information, drug illness prediction, and Absorption, distribution, metabolism, excretion, and toxicity …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 2, 2024 · pp. 64–84 Read article
-
A Comprehensive Review on Nanostructured Polymer Composites for CT Imaging Contrast Enhancement in Brain Tumor Diagnosis
Abstract: The detection and characterization of brain tumors require high-resolution and non-invasive imaging modalities that have the ability of differentiating tumorous tissues and healthy brain tissues. Computed tomography (CT) can be included in this number because, in addition to providing speedy scans and penetration to deep tissue, the diagnostic capability in soft tissue organ such as the brain is poor despite low natural contrast. The review is dedicated to the emerging …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 148–162 Read article
-
Molecular Pharmacokinetics and Structural Docking of Phenolic Acids for Targeting NF-κB Pathway Components in Inflammation and Fibrosis: A Computational Approach Toward Therapeutic Discovery
Abstract: Inflammation and Fibrosis are critical pathological processes associated with various chronic diseases, often mediated by the nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB) signaling pathway. This study investigates the therapeutic potential of phenolic acids as modulators of the NF-κB pathway, aiming to identify novel ligands that can effectively interact with key components of this signaling cascade. A comprehensive computational approach was employed, utilizing molecular docking, pharmacological screening, and post-docking …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 1, 2025 · pp. 14–31 Read article
-
Synthesis, Characterization, and Reactivity of Bivalent Tin(II) with 4-Tert-butylphenol
Abstract: Bivalent tin(II)-4-tert. butylphenoxide of composition Sn(OC6H4X-4)2(I), where X = But, has been synthesized by the reaction of stannous chloride (SnCl2) with bimolar amounts of 4-tert. butyl phenol (HOC6H4But-4) in the presence of the base, diethyl amine, in tetrahydrofuran (THF) solvent. The resulting complex was characterized by elemental analysis, molecular weight determination, molar conductance measurement, IR, and 1H NMR spectral studies. The reactivity of the newly synthesized complex (I) with HgCl2 …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 1, 2024 · pp. 14–19 Read article