In silico molecular docking and in vitro antioxidant activity studies of novel α-aminophosphonates bearing 6-amino-1,3-dimethyl uracil

被引：37

作者：

Nayab, Rasool Shaik ^{[1
]}

Maddila, Suresh ^{[2
]}

Krishna, Murthy Potla ^{[3
]}

Titinchi, Salam J. J. ^{[4
]}

Thaslim, Basha Shaik ^{[1
]}

Chintha, Venkataramaiah ^{[5
]}

Wudayagiri, Rajendra ^{[5
]}

Nagam, Venkateswarlu ^{[6
]}

Tartte, Vijaya ^{[6
]}

Chinnam, Sampath ^{[7
]}

Chamarthi, Naga Raju ^{[1
]}

机构：

[1] Sri Venkateswara Univ, Dept Chem, Tirupati 517502, Andhra Pradesh, India

[2] GITAM Univ, GITAM Inst Sci, Dept Chem, Vishakapatnam, India

[3] Acharya Nagarjuna Univ, Bapatla Engn Coll Autonomous, Dept Chem, Post Grad Res Ctr, Bapatla, India

[4] Univ Western Cape, Dept Chem, Cape Town, South Africa

[5] Sri Venkateswara Univ, Dept Zool, Tirupati, Andhra Pradesh, India

[6] Sri Venkateswara Univ, Dept Bot, Tirupati, Andhra Pradesh, India

[7] BMS Coll Engn, Dept Chem, Bull Temple Rd, Bengaluru 560019, India

来源：

JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION | 2020年 / 40卷 / 02期

关键词：

Molecular docking studies; antioxidant activity; Eaton's reagent; green synthesis; alpha-aminophosphonates; ONE-POT SYNTHESIS; PENTOXIDE-METHANESULFONIC ACID; PHOSPHORUS PENTOXIDE; BIOLOGICAL EVALUATION; EFFICIENT SYNTHESIS; DERIVATIVES; INHIBITORS; MILD; MONO;

D O I：

10.1080/10799893.2020.1722166

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：

In the present study, a new series of alpha-Aminophosphonates bearing 6-amino-1,3-dimethyluracil was synthesized in good to excellent yields (78-95%) by one-pot, three-component reaction of 6-amino-1,3-dimethyluracil, aromatic aldehydes and diethylphosphite via Kabachnik-Fields reaction by using an eco-friendly Eaton's reagent. All the compounds were screened for in vitro antioxidant studies by 2,2-diphenyl-1-picrylhydrazyl (DPPH) and hydrogen peroxide (H2O2) methods. Among the synthesized bioactive molecules, 4a, 4d, 4g, and 4h exhibited promising antioxidant activity compared with the standard drug Ascorbic acid. Furthermore, in order to support the biological results of the compounds, molecular docking studies were performed against Aromatase enzyme for four compounds which revealed that the compounds 4a, 4d, 4g, and 4h have significant binding modes, with docking scores of -8.6, -8.4, -8.1 and -8.1 respectively and the compound 4b specifically has equal dock score of -8.0 when compared with the standard drug Exemestane.

引用

页码：166 / 172

页数：7

共 42 条

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