2D-QSAR studies on MexAB-OprM efflux pump inhibitors of Pseudomonas aeruginos : Graduate Thesis for Pharmacist, Majors of Medicine Administration and Supply

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dc.contributor.advisorPhan, Thien Vy (Scientific instructor)
dc.contributor.authorNguyen, Truong Khanh Vy
dc.date.accessioned2023-03-23T03:41:14Z
dc.date.accessioned2024-08-13T08:51:37Z
dc.date.available2023-03-23T03:41:14Z
dc.date.available2024-08-13T08:51:37Z
dc.date.issued2020
dc.description79 p.vi_VN
dc.description.abstractResult and discussion: This study had totally five QSAR models with dependent value was MPC8, which were created by different descriptors. The validation results revealed that R2 values and Q2 value of all models were surprisingly greater than 0.80 and 0.77, respectively. In addition, the other values such as RMSE, R2pred, 𝑟𝑚 ̅̅2̅ and ∆r2m were come up to validation criteria. Two best models of five were LVFX and AZT_1 would be applied to virtual screening database. As a result, there were 15 compounds and 07 compounds had predicted MPC8 less than 10 µM in LVFX model and AZT_1 model, respectively, also, all of them met Five rules of Lipinski. On the other hand, five substances from Drugbank database were forecasted to have predicted MPC8 under 10 µM . Additionally, the predicted MPC8 value under 10 µM (G-9 (spergulin A) from Glinus oppositifolius.vi_VN
dc.identifier.urihttps://repository.ntt.edu.vn/handle/298300331/2669
dc.language.isoenvi_VN
dc.publisherNguyen Tat Thanh Universityvi_VN
dc.subject2D-QSARvi_VN
dc.subjectMexAB-OprMvi_VN
dc.subjectPseudomonas aeruginosvi_VN
dc.subjectEfflux pump inhibitorsvi_VN
dc.subjectVirtual screeningvi_VN
dc.subjectMô hình 2D - QSARvi_VN
dc.title2D-QSAR studies on MexAB-OprM efflux pump inhibitors of Pseudomonas aeruginos : Graduate Thesis for Pharmacist, Majors of Medicine Administration and Supplyvi_VN
dc.typeThesisvi_VN

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