Topological estimation of cytotoxic activity of some anti-HIV agents: HEPT analogues

被引：3

作者：

Agrawal, VK

Mishra, K

Sharma, R

Khadikar, PV ^{[1
]}

机构：

[1] APS Univ, QSAR & Comp Chem Labs, Rewa 486003, India

[2] Laxmi Fumigat & Pest Control Pvt Ltd, Div Res, Indore 452007, India

来源：

JOURNAL OF CHEMICAL SCIENCES | 2004年 / 116卷 / 02期

关键词：

anti-HIV agents; molecular modelling; van der Waals volume; cytotoxic activity; HEPT analogues; equalized electronegativity;

D O I：

10.1007/BF02708201

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

QSAR studies on anti-HIV cytotoxic activities of a series of HEPT(1-[(2-hydroxyethoxy) methyl]-6-(phenylthio)-thymine) analogues have been discussed. The molecular descriptors used being van der Waals volume (Vw) and equalized electronegativity (chi(eq)). The in vitro cytotoxicities (pCC(50)) were modelled using these parameters. It was observed that upon introduction of indicator parameters statistically excellent models are obtained. The predictive power of the models was examined using a cross-validation method.

引用

页码：93 / 99

页数：7

共 50 条

[41] Synthesis and anti-HIV activity of thymidine analogues bearing a 4′-cyanovinyl group and some derivatives thereof
Tronchet, JMJ
Kovacs, I
Dilda, P
Seman, M
Andrei, G
Snoeck, R
De Clereq, E
Balzarini, J
NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS, 2001, 20 (12): : 1927 - 1939
[42] SYNTHESIS AND ANTI-HIV ACTIVITY OF SOME NEW IMIDAZOLONES
JOLLY, VS
PATHAK, M
JOURNAL OF THE INDIAN CHEMICAL SOCIETY, 1991, 68 (11) : 624 - 625
[43] Phosphodiester amidates of unsaturated nucleoside analogues: Synthesis and anti-HIV activity
Winter, H
Maeda, Y
Uchida, H
Mitsuya, H
Zemlicka, J
JOURNAL OF MEDICINAL CHEMISTRY, 1997, 40 (14) : 2191 - 2195
[44] Anti-HIV agents 45 and antitumor agents 205.: Two new sesquiterpenes, leitneridanins A and B, and the cytotoxic and anti-HIV principles from Leitneria floridana
Xu, ZH
Chang, FR
Wang, HK
Kashiwada, Y
McPhail, AT
Bastow, KF
Tachibana, Y
Cosentino, M
Lee, KH
JOURNAL OF NATURAL PRODUCTS, 2000, 63 (12): : 1712 - 1715
[45] Diterpenoids from Euphorbia neriifolia and Their Related Anti-HIV and Cytotoxic Activity
Li, Jian-Chun
Feng, Xiao-Yi
Liu, Dan
Zhang, Zhi-Jun
Chen, Xuan-Qin
Li, Rong-Tao
Li, Hong-Mei
CHEMISTRY & BIODIVERSITY, 2019, 16 (12)
[46] A quantitative structure–activity relationship study of anti-HIV activity of substituted HEPT using nonlinear models
Hadi Noorizadeh
Sami Sajjadifar
Abbas Farmany
Medicinal Chemistry Research, 2013, 22 : 5442 - 5452
[47] Novel approaches in designing anti-HIV microbicides and anti-HIV agents - Editorial
Parang, K
CURRENT PHARMACEUTICAL DESIGN, 2005, 11 (29)
[48] Three-dimensional holographic vector of atomic interaction field applied in QSAR of anti-HIV HEPT analogues
Tong, Jianbo
Liu, Shuling
QSAR & COMBINATORIAL SCIENCE, 2008, 27 (03): : 330 - 337
[49] 2D autocorrelation modelling of the anti-HIV HEPT analogues using multiple linear regression approaches
Najafi, Amir
Ardakani, Soheil Sobhan
MOLECULAR SIMULATION, 2011, 37 (01) : 72 - 83
[50] Comparative QSAR studies on anti-HIV HEPT derivatives.
Garg, R
Hansch, C
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 217 : U673 - U674

← 1 2 3 4 5 →