Role of physico-chemical parameters in Quantitative Structure-Activity Relationship based modeling of CYP26A1 inhibitory activity

被引：0

作者：

Srivastava, A. K. ^{[1
]}

Srivastava, Akanchha ^{[1
]}

Archana ^{[1
]}

Jaiswal, Meetu ^{[1
]}

机构：

[1] Univ Allahabad, Dept Chem, QSAR Res Lab, Allahabad 211002, Uttar Pradesh, India

来源：

JOURNAL OF THE INDIAN CHEMICAL SOCIETY | 2008年 / 85卷 / 07期

关键词：

QSAR; CYP26A1; physico-chemical parameters;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Quantitative Structure-Activity Relationship (QSAR) studies were performed on CYP26A1 inhibitory activity using physico-chemical parameters like Balaban centric index (BAC), mean Weiner index (WA), Balaban distance connectivity index (J), information theoretic index (Id), zero order ((0)chi), first order ((1)chi) and second order ((2)chi) Of molecular connectivity, polarizibility (Pz) and partition coefficient (log P) along with appropriate dummy parameter. The QSAR models were tested for their statistical significance and reliability by using leave one out cross validation method. Some significant models have been reported.

引用

页码：721 / 727

页数：7

共 50 条

[21] Predictive Quantitative Structure-Activity Relationship Modeling of the Antifungal and Antibiotic Properties of Triazolothiadiazine Compounds [J].

Appell, Michael ;

Compton, David L. ;

Evans, Kervin O. .

METHODS AND PROTOCOLS, 2021, 4 (01) :1-11

[22] Multi-strategy enhanced snake optimizer for quantitative structure-activity relationship modeling [J].

Wang, Jiayin ;

Wang, Yukun .

APPLIED MATHEMATICAL MODELLING, 2024, 132 :531-560

[23] Quantitative structure-activity relationship to elucidate human CYP2A6 inhibition by organosulfur compounds [J].

Ramirez, Daniela A. ;

Marchevsky, Eduardo J. ;

Luco, Juan M. ;

Camargo, Alejandra B. .

ADMET AND DMPK, 2019, 7 (03) :196-209

[24] Study on the Quantitative Structure-activity Relationship of N-1 Position of Quinolone [J].

Zhu Longguan ;

Yu Qingsen ;

Chen Kaixian ;

Cai Cuoqiang ;

Lin Ruisen .

ACTA PHYSICO-CHIMICA SINICA, 1995, 11 (10) :925-928

[25] New Quantitative Structure-Activity Relationship Model for Angiotensin-Converting Enzyme Inhibitory Dipeptides Based on Integrated Descriptors [J].

Deng, Baichuan ;

Ni, Xiaojun ;

Zhai, Zhenya ;

Tang, Tianyue ;

Tan, Chengquan ;

Yan, Yijing ;

Deng, Jinping ;

Yin, Yulong .

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2017, 65 (44) :9774-9781

[26] DFT-based quantitative structure-activity relationship studies for antioxidant peptides [J].

Cheng, Yunhui ;

Luo, Fang ;

Zeng, Zhiyin ;

Wen, Li ;

Xiao, Zhongliang ;

Bu, Hanping ;

Lv, Fei ;

Xu, Zhou ;

Lin, Qinlu .

STRUCTURAL CHEMISTRY, 2015, 26 (03) :739-747

[27] Quantitative structure-activity relationship modeling of some naphthoquinone derivatives as inhibitors of pathogenic agent IDO1 [J].

Farsani, Sajjad Jazayeri ;

Asadpour, Saeid ;

Semnani, Abolfazl ;

Nasab, Shima Ghanavati .

JOURNAL OF REPORTS IN PHARMACEUTICAL SCIENCES, 2021, 10 (02) :317-334

[28] Quantitative structure-activity relationship study of binding affinity of azole compounds with CYP2B and CYP3A [J].

Itokawa, Daisuke ;

Nishioka, Tomoki ;

Fukushima, Junji ;

Yasuda, Tomoyo ;

Yamauchi, Aiko ;

Chuman, Hiroshi .

QSAR & COMBINATORIAL SCIENCE, 2007, 26 (07) :828-836

[29] Structure characteristics of flavonoids for heterocyclic aromatic amines inhibition using quantitative structure-activity relationship modeling [J].

Zhao, Lei ;

Pan, Fei ;

Li, Yubin ;

Hao, Shuai ;

Mehmood, Arshad ;

Wang, Yong ;

Wang, Chengtao .

JOURNAL OF FOOD BIOCHEMISTRY, 2020, 44 (09)

[30] Quantitative structure-activity relationship modelling of ACE-inhibitory peptides derived from milk proteins [J].

Are Hugo Pripp ;

Tomas Isaksson ;

Leszek Stepaniak ;

Terje Sørhaug .

European Food Research and Technology, 2004, 219 :579-583

← 1 2 3 4 5 →