Search Result "DFT electrophilicity descriptors"


Research Article

Screening of drug efficacy of Rosmarinic Acid derivatives as Aurora kinase inhibitors by computer aided drug design method

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 0 Year: 2020 Page: 1-16
Author(s): Kaushik Sarkar,Subhajit Sarkar,Rajesh Kumar Das

Research Article

Network-Pharmacology and DFT Based Approach Towards Identification of Leads from Homalomena aromatica for Multi-Target In-Silico Screening on Entamoeba histolytica Proteins

Journal: Current Drug Therapy
Volume: 15 Issue: 3 Year: 2020 Page: 226-237
Author(s): Ashis Kumar Goswami,Neelutpal Gogoi,Bhaskar Jyoti Gogoi,Hemanta Kumar Sharma

Research Article

Theoretical Study of Monoamine Oxidase B Inhibitors as Drug Candidates for Treatment of Parkinson’s Disease

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 20 Issue: 2 Year: 2020 Page: 128-143
Author(s): Lucilene R. Souza,Leide C.S. Picanço,Maiara F.B. Brito,Marcos R.S. Almeida,Bianca L.B. Marino,Kessia P.A. Sousa,Jaderson V. Ferreira,Cleydson B.R. dos Santos,Guilherme M. Silva,Carlos H.T.P. Silva,Carlton A. Taft,Lorane I.S. Hage-Melim

Letter Article

Synthesis and Theoretical Study of a Series of 3,5-disubstitutes Pyrazoles

Journal: Letters in Organic Chemistry
Volume: 17 Issue: 1 Year: 2020 Page: 932-938
Author(s): Karine Braga Enes,Ana Clara Alves Branco,Maria Eduarda Toledo Lima,Marcella Fernandes Mano Mateus,Luciana Guimaráes,Clebio Soares Nascimento,Mara Rubia Costa Couri

Research Article

Spectral Investigations, Molecular Interactions and Electrochemical Studies of (2R)-(-) 2-(2, 6-dimethylphenylaminocarbonyl)-1-methyl piperidinium chloride

Journal: Current Drug Therapy
Volume: 15 Issue: 4 Year: 2020 Page: 358-368
Author(s): J. Deva Anban,J.Sharmi Kumar,C. James,Sayantan Pradhan

Research Article

Molecular Docking, Topological Analysis and Vibrational Studies on N-(2-Bromoethyl) Succinimide: Antidepressant Agent

Journal: Letters in Organic Chemistry
Volume: 17 Issue: 0 Year: 2020 Page: 1-16
Author(s): Aslı Eşme

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