QSAR modeling of isoquinoline derivatives having AKR1C3 inhibitory activity: Lead optimization

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dc.contributor.authorGopinath, Pen_US
dc.contributor.authorAshishranjan, Den_US
dc.contributor.authorDurgaprasad, Ben_US
dc.contributor.authorBidhubhusan, Ken_US
dc.contributor.authorRaghuveer, Pen_US
dc.contributor.authorRamReddy, Gen_US
dc.contributor.authorRao, KRen_US
dc.contributor.authorReddy, DRen_US
dc.contributor.authorSubramanyam, S.en_US
dc.date.accessioned2025-05-12T09:40:20Z
dc.date.available2025-05-12T09:40:20Z
dc.date.issued2024-10
dc.description.abstractAldo-keto reductase 1C3 is a promising drug target for castration-resistant prostate cancer. In the present study, quantitative structure-activity relationship studies were carried out by QSARINS software on 3-(3, 4-dihydroisoquinolin-2(1H)-yl sulfonyl) benzoic acid derivatives having AKR1C3 inhibitory activity. The developed Quantitative Structure-activity relationship (QSAR) model suggests that the descriptors play key roles and are extremely helpful in predicting bioactivity. The best model shows validated statistical values, and residual information predicts the obtained model is robust, stable, and can be utilized to the extent of a novel series of isoquinoline derivatives.en_US
dc.identifier.affiliationsDepartment of Pharmaceutical Chemistry, GITAM School of Pharmacy, GITAM University, Hyderabad, Indiaen_US
dc.identifier.affiliationsDepartment of Pharmaceutical Chemistry, GITAM School of Pharmacy, GITAM University, Hyderabad, Indiaen_US
dc.identifier.affiliationsDepartment of Pharmaceutical Chemistry, GITAM School of Pharmacy, GITAM University, Hyderabad, Indiaen_US
dc.identifier.affiliationsDepartment of Pharmaceutical Chemistry, GITAM School of Pharmacy, GITAM University, Hyderabad, Indiaen_US
dc.identifier.affiliationsDepartment of Pharmaceutics, GITAM School of Pharmacy, GITAM University, Hyderabad, Indiaen_US
dc.identifier.affiliationsDepartment of Pharmaceutical Analysis, GITAM School of Pharmacy, GITAM University, Hyderabad, Indiaen_US
dc.identifier.affiliationsDepartment of Pharmaceutical Chemistry, Hindu College of Pharmacy, Guntur, Indiaen_US
dc.identifier.affiliationsDepartment of Pharmaceutical Chemistry, Archarya Nagarjuna University College of Pharmaceutical Sciences, Guntur, Indiaen_US
dc.identifier.affiliationsDepartment of Pharmaceutical Chemistry, Vignan’s Foundation for Science, Technology & Research, College of Pharmacy, Guntur, India.en_US
dc.identifier.citationGopinath P, Ashishranjan D, Durgaprasad B, Bidhubhusan K, Raghuveer P, RamReddy G, Rao KR, Reddy DR, Subramanyam S.. QSAR modeling of isoquinoline derivatives having AKR1C3 inhibitory activity: Lead optimization . Journal of Applied Pharmaceutical Science. 2024 Oct; 14(10): 163-174en_US
dc.identifier.issn2231-3354
dc.identifier.placeIndiaen_US
dc.identifier.urihttps://imsear.searo.who.int/handle/123456789/247365
dc.languageenen_US
dc.publisherOpen Science Publishers LLPen_US
dc.relation.issuenumber10en_US
dc.relation.volume14en_US
dc.source.urihttps://doi.org/10.7324/JAPS.2024.160453en_US
dc.subjectProstate canceren_US
dc.subjectAKR1C3en_US
dc.subjectQSARINSen_US
dc.subjectMoRSE.en_US
dc.titleQSAR modeling of isoquinoline derivatives having AKR1C3 inhibitory activity: Lead optimizationen_US
dc.typeJournal Articleen_US
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