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SAR and QSAR in Environmental Research Volume 32, 2021 - Issue 6
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Research Article

Computational study on subfamilies of piperidine derivatives: QSAR modelling, model external verification, the inter-subset similarity determination, and structure-based drug designing

F. Sadeghia Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran
,
A. Afkhamia Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran;b Department of Chemistry, D-8 International University, Hamedan, IranCorrespondence[email protected]
,
T. Madrakiana Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran
&
R. Ghavamic Chemometrics Laboratory, Chemistry Department, Faculty of Science, University of Kurdistan, Sanandaj, Iran
Pages 433-462 | Received 19 Dec 2020, Accepted 14 Feb 2021, Published online: 07 May 2021

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S. Das, S.A. Amin, S. Gayen & T. Jha. (2022) Insight into the structural requirements of gelatinases (MMP-2 and MMP-9) inhibitors by multiple validated molecular modelling approaches: Part II. SAR and QSAR in Environmental Research 33:3, pages 167-192.
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S. Das, S.A. Amin & T. Jha. (2021) Insight into the structural requirement of aryl sulphonamide based gelatinases (MMP-2 and MMP-9) inhibitors – Part I: 2D-QSAR, 3D-QSAR topomer CoMFA and Naïve Bayes studies – First report of 3D-QSAR Topomer CoMFA analysis for MMP-9 inhibitors and jointly inhibitors of gelatinases together. SAR and QSAR in Environmental Research 32:8, pages 655-687.
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