ArticleDrug design, development and therapy2010
Development of QSAR model for immunomodulatory activity of natural coumarinolignoids.
Article in Drug design, development and therapy, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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20 citing papers in PubMed, 50 citations in OpenAlex.
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- Computer-Aided Drug Design in Epigenetics.Frontiers in chemistry · 2018Review
- Molecular docking, QSAR and ADMET studies of withanolide analogs against breast cancer.Drug design, development and therapy · 2017Article
- New arylated benzo[h]quinolines induce anti-cancer activity by oxidative stress-mediated DNA damage.Scientific reports · 2016Article
- Computational approaches to find the active binding sites of biological targets against busulfan.Journal of molecular modeling · 2016Article
- QSAR and docking studies on capsazepine derivatives for immunomodulatory and anti-inflammatory activity.PloS one · 2014Article
- QSAR and docking studies on xanthone derivatives for anticancer activity targeting DNA topoisomerase IIα.Drug design, development and therapy · 2014Article
- Combining structure-based pharmacophore modeling, virtual screening, and in silico ADMET analysis to discover novel tetrahydro-quinoline based pyruvate kinase isozyme M2 activators with antitumor activity.Drug design, development and therapy · 2014Article
- Bioinformatics opportunities for identification and study of medicinal plants.Briefings in bioinformatics · 2013Review
- Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activity.Journal of molecular modeling · 2012Article
- Pharmacophore modeling, molecular docking, QSAR, and in silico ADMET studies of gallic acid derivatives for immunomodulatory activity.Journal of molecular modeling · 2012Article
- Prediction of anticancer property of bowsellic acid derivatives by quantitative structure activity relationship analysis and molecular docking study.Journal of pharmacy & bioallied sciencesArticle
Corrections and comments
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Authors and funding
6 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Immunomodulation is the process of alteration in immune response due to foreign intrusion of molecules inside the body. Along with the available drugs, a large number of herbal drugs are promoted in traditional Indian treatments, for their immunomodulating activity. Natural coumarinolignoids isolated from the seeds of Cleome viscose have been recognized as having hepatoprotective action and have recently been tested preclinically for their immunomodulatory activity affecting both cell-mediated and humoral immune response. To explore the immunomodulatory compound from derivatives of coumarinolignoids, a quantitative structure activity relationship (QSAR) and molecular docking studies were performed. Theoretical results are in accord with the in vivo experimental data studied on Swiss albino mice. Immunostimulatory activity was predicted through QSAR model, developed by forward feed multiple linear regression method with leave-one-out approach. Relationship correlating measure of QSAR model was 99% (R(2) = 0.99) and predictive accuracy was 96% (RCV(2) = 0.96). QSAR studies indicate that dipole moment, steric energy, amide group count, lambda max (UV-visible), and molar refractivity correlates well with biological activity, while decrease in dipole moment, steric energy, and molar refractivity has negative correlation. Docking studies also showed strong binding affinity to immunomodulatory receptors.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.