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Topological Descriptors in Modeling the HIV Inhibitory Activity of 2-Aryl-3-pyridyl-thiazolidin-4-ones

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ชื่อเรื่อง : Topological Descriptors in Modeling the HIV Inhibitory Activity of 2-Aryl-3-pyridyl-thiazolidin-4-ones
นักวิจัย : Prabhakar, Yenamandra S , Rawal, Ravindra K , Gupta, Manish K , Solomon, V Raja , Katti, S B
คำค้น : 2-(2,6-Dihalophenyl)-3-(substituted pyridin-2-yl)-thiazolidin-4-ones , HIV-1 RT , combinatorial protocol in multiple linear regressions , CP-MLR , DRAGON’s topological descriptors , QSAR study
หน่วยงาน : -
ผู้ร่วมงาน : -
ปีพิมพ์ : 2548
อ้างอิง : Combinatorial Chemistry and Highthroughput Screening (2005), 8, 431 , http://hdl.handle.net/123456789/85
ที่มา : -
ความเชี่ยวชาญ : -
ความสัมพันธ์ : CDRI Communication no.6585
ขอบเขตของเนื้อหา : -
บทคัดย่อ/คำอธิบาย :

The HIV-1 RT inhibitory activity of 2-(2,6-dihalophenyl)-3-(substituted pyridin-2-yl)-thiazolidin-4-ones has been analyzed with different topological descriptors obtained from DRAGON software. Here, simple topological descriptors (TOPO), Galvez topological charge indices (GVZ) and 2D autocorrelation descriptors (2DAUTO) have been found to yield good predictive models for the activity of these compounds. The correlations obtained from the TOPO class descriptors suggest that less extended or compact saturated structural templates would be better for the activity. The participating GVZ class descriptors suggest that they have same degree of influence on the activity. In 2DAUTO class, the large participation of descriptors of lags seven and three indicate the association of activity information with the seven and three centered structural fragments of these compounds. The physicochemical weighting components of these descriptors suggest homogeneous influence of mass, volume, electronegativity and/ or polarizability on the activity.

บรรณานุกรม :
Prabhakar, Yenamandra S , Rawal, Ravindra K , Gupta, Manish K , Solomon, V Raja , Katti, S B . (). Topological Descriptors in Modeling the HIV Inhibitory Activity of 2-Aryl-3-pyridyl-thiazolidin-4-ones.
    : .
Prabhakar, Yenamandra S , Rawal, Ravindra K , Gupta, Manish K , Solomon, V Raja , Katti, S B . . "Topological Descriptors in Modeling the HIV Inhibitory Activity of 2-Aryl-3-pyridyl-thiazolidin-4-ones".
    : .
Prabhakar, Yenamandra S , Rawal, Ravindra K , Gupta, Manish K , Solomon, V Raja , Katti, S B . "Topological Descriptors in Modeling the HIV Inhibitory Activity of 2-Aryl-3-pyridyl-thiazolidin-4-ones."
    : , . Print.
Prabhakar, Yenamandra S , Rawal, Ravindra K , Gupta, Manish K , Solomon, V Raja , Katti, S B . Topological Descriptors in Modeling the HIV Inhibitory Activity of 2-Aryl-3-pyridyl-thiazolidin-4-ones. : ; .