SAR and QSAR in Environmental Research, Volume 35, Issue 6 (2024)

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SAR and QSAR in Environmental Research, Volume 35, Issue 6 (2024)

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Research Article

Article
Potent inhibition of human and rat 17β-hydroxysteroid dehydrogenase 1 by curcuminoids and the metabolites: 3D QSAR and in silico docking analysis
J. He, Z. Ji, J. Sang, H. Quan, H. Zhang, H. Lu, J. Zheng, S. Wang, R.S. Ge & X. Li
Pages: 433-456
Published online: 24 May 2024
AbstractforPotent inhibition of human and rat 17β-hydroxysteroid dehydrogenase 1 by curcuminoids and the metabolites: 3D QSAR and in silico docking analysis | Full Text | References | PDF (5 MB) | EPUB | Supplemental
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Article
Identification of inhibitors for neurodegenerative diseases targeting dual leucine zipper kinase through virtual screening and molecular dynamics simulations
S. Koirala, S. Samanta & P. Kar
Pages: 457-482
Published online: 10 Jun 2024
AbstractforIdentification of inhibitors for neurodegenerative diseases targeting dual leucine zipper kinase through virtual screening and molecular dynamics simulations | Full Text | References | PDF (16.1 MB) | EPUB | Supplemental
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Article
Fragment-based QSAR study to explore the structural requirements of DPP-4 inhibitors: a stepping stone towards better type 2 diabetes mellitus management
P.K. Dey, R. Dutta, M. Ray, P. Jakkula, S. Banerjee, I.A. Qureshi, S. Gayen & S.A. Amin
Pages: 483-504
Published online: 21 Jun 2024
AbstractforFragment-based QSAR study to explore the structural requirements of DPP-4 inhibitors: a stepping stone towards better type 2 diabetes mellitus management | Full Text | References | PDF (6.8 MB) | EPUB | Supplemental
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Article
HT_PREDICT: a machine learning-based computational open-source tool for screening HDAC6 inhibitors
O.V. Tinkov, V.N. Osipov, A.V. Kolotaev, D.S. Khachatryan & V.Y. Grigorev
Pages: 505-530
Published online: 15 Jul 2024
AbstractforHT_PREDICT: a machine learning-based computational open-source tool for screening HDAC6 inhibitors | Full Text | References | PDF (8.5 MB) | EPUB
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