QSAR study of flavonoid derivatives as p56lck tyrosinkinase inhibitors

被引:27
作者
Thakur, A [1 ]
Vishwakarma, S [1 ]
Thakur, M [1 ]
机构
[1] Softvis Inst Biotechnol, Dept Chem, Indore, India
关键词
QSAR; flavonoid derivatives; p56lck protein tyrosinekinase; Hydration energy; logP;
D O I
10.1016/j.bmc.2003.11.024
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
QSAR studies on 104 flavonoid derivatives as p561ck protein tyrosinekinase inhibitors were performed using hydration energy and logP as predictor parameters. The results obtained demonstrate in detail, which specify that hydration energy and hydrophobic parameters of the compounds play a significant role in developing QSAR models. The significance of presence and absence of substituents on particular position is successfully explored with the help of indicator parameters. The results are critically discussed on the basis of multiple linear regression parameters. (C) 2003 Elsevier Ltd. All rights reserved.
引用
收藏
页码:1209 / 1214
页数:6
相关论文
共 50 条
[41]   Quantitative Structure-Activity Relationship (QSAR) Study with a Series of 17α-Derivatives of Estradiol: Model for the Development of Reversible Steroid Sulfatase Inhibitors [J].
Maltais, Rene ;
Fournier, Diane ;
Poirier, Donald .
QSAR & COMBINATORIAL SCIENCE, 2009, 28 (11-12) :1284-1299
[42]   QSAR Study, Molecular Docking/Dynamics Simulations and ADME Prediction of 2-Phenyl-1H-Indole Derivatives as Potential Breast Cancer Inhibitors [J].
Saghiri, Khadijah ;
Daoud, Ismail ;
Melkemi, Nadjib ;
Mesli, Fouzia .
BIOINTERFACE RESEARCH IN APPLIED CHEMISTRY, 2023, 13 (02)
[43]   Synthesis, biological evaluation, QSAR study and molecular docking of novel N-(4-amino carbonylpiperazinyl) (thio)phosphoramide derivatives as cholinesterase inhibitors [J].
Gholivand, Khodayar ;
Valmoozi, Ali Asghar Ebrahimi ;
Bonsaii, Mahyar .
PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY, 2014, 112 :40-50
[44]   Quantitative Structure Activity Relationship (QSAR) of Methylated Polyphenol Derivatives as Permeability Glycoprotein (P-gp) Inhibitors: A Comparison of Different Training and Test Set Selection Methods [J].
Ghaemian, Paria ;
Shayanfar, Ali .
LETTERS IN DRUG DESIGN & DISCOVERY, 2017, 14 (09) :999-1007
[45]   QSAR Study, Molecular Docking and Molecular Dynamic Simulation of Aurora Kinase Inhibitors Derived from Imidazo[4,5-b]pyridine Derivatives [J].
Tian, Yang-Yang ;
Tong, Jian-Bo ;
Liu, Yuan ;
Tian, Yu .
MOLECULES, 2024, 29 (08)
[46]   Methoxy and methylthio-substituted trans-stilbene derivatives as CYP1B1 inhibitors - QSAR study with detailed interpretation of molecular descriptors [J].
Piekus-Slomka, Natalia ;
Zapadka, Mariusz ;
Kupcewicz, Bogumila .
ARABIAN JOURNAL OF CHEMISTRY, 2022, 15 (11)
[47]   Pharmacophore modeling, 3D-QSAR, and molecular docking study on naphthyridine derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1 [J].
Kirubakaran, Palani ;
Muthusamy, Karthikeyan ;
Singh, Kh Dhanachandra ;
Nagamani, Selvaraman .
MEDICINAL CHEMISTRY RESEARCH, 2013, 22 (08) :3812-3822
[48]   Use of Artificial Neural Network for a QSAR Study on Neurotrophic Activities of N-p-Tolyl/phenylsulfonyl L-Amino Acid Thiolester Derivatives [J].
Luo, Jin ;
Hu, Jiwei ;
Fu, Liya ;
Liu, Chun ;
Jin, Xiaofei .
CEIS 2011, 2011, 15
[49]   Combination of radial distribution functions as structural descriptors with ligand-receptor interaction information in the QSAR study of some 4-anilinoquinazoline derivatives as potent EGFR inhibitors [J].
Beglari, Mozhgan ;
Goudarzi, Nasser ;
Shahsavani, Davood ;
Arab Chamjangali, Mansour ;
Mozafari, Zeinab .
STRUCTURAL CHEMISTRY, 2020, 31 (04) :1481-1491
[50]   Combination of radial distribution functions as structural descriptors with ligand-receptor interaction information in the QSAR study of some 4-anilinoquinazoline derivatives as potent EGFR inhibitors [J].
Mozhgan Beglari ;
Nasser Goudarzi ;
Davood Shahsavani ;
Mansour Arab Chamjangali ;
Zeinab Mozafari .
Structural Chemistry, 2020, 31 :1481-1491