GET THE APP

3D-QSAR studies on xanthone derivatives to understand pharmacological activities as MAO inhibitors | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X
All submissions of the EM system will be redirected to Online Manuscript Submission System. Authors are requested to submit articles directly to Online Manuscript Submission Systemof respective journal.

Abstract

3D-QSAR studies on xanthone derivatives to understand pharmacological activities as MAO inhibitors

Author(s): Vijay H. Masand, Komalsingh N. Patil, Devidas T. Mahajan, Rahul D. Jawarkar and Ghulam M. Nazerruddin

Monoamine Oxidase (MAO) play vital role in regulation of monoamine neurotransmitters such as serotonin, dopamine and nor-adrenaline. MAO inhibitors are used in the treatment of Parkinson’s disease, Alzheimer’s disease, depression etc. In present work we have carried out SAR analysis and developed many QSAR equations to understand the pharmacological activities of Xanthone derivatives as MAO inhibitors. The SAR and QSAR analysis provides interesting insights in understanding the hydrophobic, steric, electronic, and structural requirements for MAO inhibitory activity. Quantum mechanical studies support the SAR analysis. Combination of different types of 3-D descriptors like WHIM, GATEAWAY and so on provide useful QSAR models. The QSAR models were tested for their statistical significance by using Y-randomization, R2, R2 adj and R2 LOO methods. The significant model is with R2 > 91%. These QSAR studies help us in the design and prediction of novel Xanthone derivatives as MAO inhibitors.


PDF

Select your language of interest to view the total content in your interested language

30+ Million Readerbase
SCImago Journal & Country Rank
Google Scholar citation report
Citations : 23677

Der Pharma Chemica received 23677 citations as per Google Scholar report

Der Pharma Chemica peer review process verified at publons
Der Pharma Chemica- Journals on pharmaceutical chemistry