Zobrazeno 1 - 10
of 85
pro vyhledávání: '"M. Asadollahi-Baboli"'
Publikováno v:
SAR and QSAR in Environmental Research. 33:779-792
A novel decision-making procedure is proposed here for the first time to identify active/inactive and selective/non-selective dual inhibitors using consensus approaches and pools of k-nearest neighbours (kNN) classifications instead of individual mod
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Autor:
Z Kalaki, M. Asadollahi-Baboli
Publikováno v:
SAR and QSAR in Environmental Research. 31:399-419
Pim kinase enzyme has an essential role in the treatment of prostate, colon and acute myeloid leukaemia cancers. The indoles inhibitors were docked in the enzyme's active pocket in order to survey the inhibition mechanism and extract the ligands' con
Publikováno v:
SAR and QSAR in environmental research. 33(1)
The idea of using ranked binding energies of residues and data fusion are presented here for the first time as a valuable tool to classify active and selective inhibitors. Selective inhibitors of JAK3 can inhibit inflammatory cytokine while preventin
Autor:
M. Asadollahi-Baboli, Khatoon Seraj
Publikováno v:
Journal of Molecular Structure. 1179:514-524
The lysine specific demethylase 1 (LSD1) overexpression is linked to a lung, breast and prostate cancers. In order to explore significant biochemical features affecting LSD1 inhibition mechanism and help design new potent inhibitors, molecular dockin
Publikováno v:
Microchemical Journal. 145:819-832
In this paper, a simple voltammetric method has been reported for the thymol determination using MnY nanozeolite modified carbon paste electrode (MnY/CPE). X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), field emission scanni
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In silico evaluation, molecular docking and QSAR analysis of quinazoline-based EGFR-T790M inhibitors
Autor:
M. Asadollahi-Baboli
Publikováno v:
Molecular Diversity. 20:729-739
Mutated epidermal growth factor receptor (EGFR-T790M) inhibitors hold promise as new agents against cancer. Molecular docking and QSAR analysis were performed based on a series of fifty-three quinazoline derivatives to elucidate key structural and ph
Autor:
M. Asadollahi-Baboli, S. Dehnavi
Publikováno v:
Computational biology and chemistry. 76
The α-glucosidase inhibitors are considered as important agents in drug discovery against diabetes mellitus. Molecular docking and quantitative structure-activity relationship (QSAR) were performed based on a series of tetracyclic oxindole derivativ
Publikováno v:
Food Analytical Methods. 9:528-536
Garden thyme (Thymus vulgaris L.) and wild thyme (Thymus serpyllum L.) volatile components have been extracted using solid-phase microextraction (SPME) with polyamide nanofibers, prepared by electrospun technique. The polyamide nanofibers were used f