Please use this identifier to cite or link to this item: http://cmuir.cmu.ac.th/jspui/handle/6653943832/64099
Full metadata record
DC FieldValueLanguage
dc.contributor.authorKanika Aroraen_US
dc.contributor.authorSukhbir Lal Khokraen_US
dc.contributor.authorShah Alam Khanen_US
dc.contributor.authorAsif Husainen_US
dc.date.accessioned2019-05-07T09:59:47Z-
dc.date.available2019-05-07T09:59:47Z-
dc.date.issued2018en_US
dc.identifier.issn0125-2526en_US
dc.identifier.urihttp://it.science.cmu.ac.th/ejournal/dl.php?journal_id=8984en_US
dc.identifier.urihttp://cmuir.cmu.ac.th/jspui/handle/6653943832/64099-
dc.description.abstractThe current study aimed to identify the core structural features of selective p56lck inhibitors to design and develop molecules useful in inflammatory and autoimmune disorders. A set of known p56lck inhibitors were retrieved from the data bank using PHASE program and a three-dimensional pharmacophore hypothesis was constructed. Six point pharmacophore having four common structural features such as one hydrophobic site (H), two hydrogen bond acceptors (A), one hydrogen bond donor (D) and two aromatic rings (R) were developed. The best pharmacophore hypothesis was found to be AADHRR.15 which showed a regression coefficient value (r2) of 0.854 and produced a statistically significant 3 dimensional Quantitative structure activity relationship (QSAR) model. An external validation was further carried out to assess the quality and prediction reliability of the developed pharmacophore model. The generated model showed potential in good prediction of activity as indicated by the squared predictive correlation coefficient of 0.841 observed between experimental and predicted activity values of test set molecules. Thus, based on the results, it can be contemplated that the constructed hypothesis in this study seems to be a useful and reliable tool that can be used in identifying p56lck inhibitors with improved potency and efficacy.en_US
dc.languageEngen_US
dc.publisherScience Faculty of Chiang Mai Universityen_US
dc.title3D-QSAR and Pharmacophore Identification of Benzothiazole Derivatives as Potent p56lck Inhibitorsen_US
dc.typeบทความวารสารen_US
article.title.sourcetitleChiang Mai Journal of Scienceen_US
article.volume45en_US
article.stream.affiliationsInstitute of Pharmaceutical Sciences, Kurukshetra University, Kurukshetra – 136119, Haryana, India.en_US
article.stream.affiliationsDepartment of Pharmacy, Oman Medical College, Muscat, Sultanate of Oman.en_US
article.stream.affiliationsDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Jamia Hamdard (Hamdard University), New Delhi, 110062, India.en_US
Appears in Collections:CMUL: Journal Articles

Files in This Item:
There are no files associated with this item.


Items in CMUIR are protected by copyright, with all rights reserved, unless otherwise indicated.