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3 articles for “Molinspiration”
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Unlocking The Bioactivity Potential: Molecular Insights and Predictions of Salen, Salophen, Allicin, Curcumin, and Piperine
Abstract: In this work, the prediction of the biological activity of several significant molecules, including salen, salophen, allicin, curcumin, and piperine, are discussed. Using Molinspiration software, the molecular properties of these compounds were calculated. These molecules are highly significant due to their extensive potential in medical applications. Salen and salophen, for instance, play crucial roles in cancer chemotherapy and act as inhibitors of angiogenesis. Curcumin is renowned for its antioxidant properties, …
Published in International Journal of Cheminformatics · Vol. 1, Issue 2, 2023 · pp. 14–21 Read article
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In-silico Approach of Few Selected Phytoconstituents on Newer Cancer Targets
Abstract: Background: Cancer’s high death rates are mainly due to, drug resistance and unmet medical demands. It necessitates novel anticancer medications. AI tools aid in efficient and faster drug discovery by analyzing data, modeling processes and optimizing pipeline stages. Aim: The aim of this present study is to evaluate phytoconstituents against novel and newer cancer targets. Methodology: The ligands Daidzein, Resveratrol and Genistein were targeted against the Glutamate dehydrogenase (PDB ID …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 3, 2024 · pp. 12–17 Read article
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Screening of Newer Phytoconstituents on Novel Enzymes for their Biological Activity
Abstract: Background: Hyperlipidemia and gout are prevalent metabolic disorders significantly impacting global health. The xanthine oxidase and HMG-CoA reductase pathways play pivotal roles in the pathophysiology of these conditions. This study explores the potential of natural phytoconstituents—daidzein, resveratrol, and genistein—as dual inhibitors for these enzymatic targets, offering insights into innovative therapeutic strategies. Aim: To evaluate the potential of natural phytoconstituents—daidzein, resveratrol, and genistein—as dual inhibitors of xanthine oxidase and HMG-CoA reductase …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 16, Issue 1, 2025 · pp. 81–86 Read article