Search Result "QSAR"


Research Article

QSAR Modeling of Styrylquinoline Derivatives as HIV-1 Integrase Inhibitors

Journal: Current Chemical Biology
Volume: 16 Issue: 2 Year: 2022 Page: 123-129
Author(s): Tarik El Ouafy

General Research Article

Development of 2D, 3D-QSAR and Pharmacophore Modeling of Chalcones for the Inhibition of Monoamine Oxidase B

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 25 Issue: 0 Year: 2022 Page: 1-14
Author(s): Bijo Mathew,Chonny Herrera-Acevedo,Sanal Dev,T. M. Rangarajan,Mohamed Saheer Kuruniyan,Punnoth Poonkuzhi Naseef,Luciana Scotti,Marcus Tullius Scotti

Research Article

Computational Investigations of Coumarin Derivatives as CyclindependentKinase 9 Inhibitors Using 3D-QSAR, Molecular Docking andMolecular Dynamics Simulation

Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 5 Year: 2022 Page: 363-380
Author(s):

Research Article

Predicting the Anticancer Activity of 2-alkoxycarbonylallyl Esters againstMDA-MB-231 Breast Cancer - QSAR, Machine Learning and MolecularDocking

Journal: Current Drug Discovery Technologies
Volume: 19 Issue: 6 Year: 2022 Page: 51-64
Author(s): Babatunde Samuel Obadawo,Oluwatoba Emmanuel Oyeneyin,Adesoji Alani Olanrewaju,Damilohun Samuel Metibemu,Sunday Adeola Emaleku,Taoreed Olakunle Owolabi

Research Article

Synthesis, Molecular Docking, and 2D-QSAR Modeling of Quinoxaline Derivatives as Potent Anticancer Agents against Triple-Negative Breast Cancer

Journal: Current Topics in Medicinal Chemistry
Volume: 22 Issue: 1 Year: 2022 Page: 855-867
Author(s): Arvind Singh Negi

Research Article

Hologram QSAR and Topomer CoMFA Study on NaphthyridoneDerivatives as ATAD2 Bromodomain Inhibitors

Journal: Current Chinese Chemistry
Volume: 2 Issue: 3 Year: 2022 Page: 9-19
Author(s):

Research Article

vHTS, 3-D Pharmacophore, QSAR and Molecular Docking Studies for the Identification of Phyto-derived ATP-Competitive Inhibitors of the BCR-ABL Kinase Domain

Journal: Current Drug Discovery Technologies
Volume: 19 Issue: 0 Year: 2022 Page: 1-9
Author(s): Idowu Olaposi Omotuyi,Olawole Yakubu Adeniran,Ayorinde Omolara Metibemu,Oluwatoba Emmanuel Oyeneyin,Damilohun Samuel Metibemu

Research Article

Research on the Anti-tumor Activity of a Novel Aminopeptidase InhibitorBased on 3D QSAR Model

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 9 Year: 2022 Page: 811-822
Author(s):

Research Article

In Silico Studies of Piperidine Derivatives as Protein Kinase B Inhibitorsthrough 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 7 Year: 2022 Page: 591-605
Author(s): Chunyan Guo,Chenshuo Li,Haobo Tian,Xue Rui,Jin Wang,Yaxin Li,Sisi Liu

Research Article

A Combined QSAR and Molecular Docking Approach for IdentifyingPyrimidine Derivatives as Penicillin Binding Protein Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 1 Year: 2022 Page: 1121-1135
Author(s): Brij K. Sharma

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