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The Future of Thoracoscopic Lobectomy in Lung Cancer. Antiangiogenic Properties of 17-(Dimethylaminoethylamino)-17-Demethoxygeldanamycin: An Orally Bioavailable Heat Shock Protein 90 Modulator. M., Fisher-Nielson, K., Borsotti, P., Riccardi, F. Hubungan antara Ekspresi Hsp27 dan Hsp70 dengan Derajat Diferensiasi dan Angka Ketahanan Hidup Dua Tahun pada Penderita Kanker Endometrium Tipe I Pasca-Pembedahan di RSUD Dr.

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ZINC: A Free Tool to Discovery Chemistry for Biology. Pharmacokinetics, Tissue Distribution and Metabolism of 17-(Dimethylaminoethylamino)-17-Demethoxygeldanamycin (NSC 707545) in CD2F1 Mice and Fischer 344 Rats. Novel Approach for Efficient Pharmacophore-Based Virtual Screening: Method and Applications. Dror, O., Schneudman-Duhovny, D., Inbar, Y., Nussinov, R., & Wolfson, H.The HSP90 Gen Family in Human Genom: Their Different Wawasan and Evolution. QSAR, Molecular Docking and Dynamics Studies of Quinazoline Derivatives as Inhibitor of Phosphatidylinositol 3-Kinase. Computational Biology and Chemistry, 77, 64-71. Pharmacophore-based Virtual Screening for Identifying ОІ5 Subunit Inhibitor of 20S Proteasome. Arba, M., Nur-Hidayat, A., Surantaadmaja, S.3D-QSAR, Molecular Docking and Dynamics Simulation of Difluorophenol Pyridine Derivatives as RSK2 Inhibitor. Arba, M., Azali, H., Ombe, S., Armid, A., & Usman, I.

The range of binding energy (E) of all hit compounds is -5.68 to -12.24 kcal/mol and there are four best hit compounds namely lig_543, lig_527, lig_1337 and lig_337, when compared to native ligands (PU2, E=-8.25 kkal/mol) based on the binding energy and orientation, which indicate their potential as new HSP-90 inhibitors.

Screening in the ZINC database generated 1,500 hit compounds, were subjected to molecular docking to determine their binding energy and interactions with HSP-90. The pharmacophore feature consists of three hydrogen bond acceptors, one hydrogen bond donor and one hydrophobic feature with Area Under Curve of Receiver Operating Characteristics (AUCROC) is 0.5 and the Goodness of Hit (GH) value is 0.752. In this study, pharmacophore modeling and molecular docking were conducted to identify hit compounds as inhibitors of HSP-90. Inhibition of HSP90 is one way to suppress the growth of cancer cells. Heat shock proteins-90 (HSP-90) is a protein that plays an important role in the life cycle of normal and cancer cells for their self protection from thermal stress, oxidative damage, and cell hypoxia.