3D QSAR and docking studies on benzoylsulfonohydrazides as histone acetyltransferase KAT6A inhibitors

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dc.contributor.authorMD., Muzaffar-Ur-Rehmanen_US
dc.contributor.authorAkbar, Syeden_US
dc.contributor.authorBahazeq, Asra Alien_US
dc.date.accessioned2020-10-16T08:56:55Z
dc.date.available2020-10-16T08:56:55Z
dc.date.issued2020-05
dc.description.abstractSixty-one analogs of benzoylsulfonohydrazides were subjected to 3D QSAR studies using CoMFA and CoMSIAtechniques followed by docking studies to develop a correlation of the structure with their respective activities. Thegenerated model had shown good predictability and the contour analysis followed by docking study has provided aninsight to develop new inhibitors. The cross-validation values corresponding to CoMFA and COMSIA were observedto be within the acceptable criterion (q2 > 0.5). The docking analysis of the best active compound shown was −41.81kcal/mol. From the obtained analysis results of CoMFA as well as CoMSIA, the data can be useful to develop morepotent histone acetyltransferase inhibitors.en_US
dc.identifier.affiliationsDepartment of Pharmaceutical Chemistry, Nalla Narsimha Reddy Education Society, Chowdaryguda, Narapally, Hyderabad, Telangana, India.en_US
dc.identifier.affiliationsDepartment of Pharmaceutical Chemistry, Sultan Ul Uloom College of Pharmacy, Banjara Hills, Hyderabad, Telangana, Indiaen_US
dc.identifier.affiliationsDepartment of Pharmaceutical Chemistry, Sultan Ul Uloom College of Pharmacy, Banjara Hills, Hyderabad, Telangana, Indiaen_US
dc.identifier.citationMD. Muzaffar-Ur-Rehman, Akbar Syed, Bahazeq Asra Ali. 3D QSAR and docking studies on benzoylsulfonohydrazides as histone acetyltransferase KAT6A inhibitors. Journal of Applied Pharmaceutical Science. 2020 May; 2020 May: 023-030en_US
dc.identifier.issn2231-3354
dc.identifier.placeIndiaen_US
dc.identifier.urihttps://imsear.searo.who.int/handle/123456789/210744
dc.languageenen_US
dc.publisherOpen Science Publishers LLPen_US
dc.relation.issuenumber5en_US
dc.relation.volume10en_US
dc.source.urihttps://dx.doi.org//10.7324/JAPS.2020.10504en_US
dc.subject3D QSARen_US
dc.subjectCoMFAen_US
dc.subjectCoMSIAen_US
dc.subjectdockingen_US
dc.subjectbenzoylsulfonohydrazidesen_US
dc.subjectHAT.en_US
dc.title3D QSAR and docking studies on benzoylsulfonohydrazides as histone acetyltransferase KAT6A inhibitorsen_US
dc.typeJournal Articleen_US
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