Characterization and molecular docking studies of substituted 3-(2-benzylidenehydrazinyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines synthesized via a one-pot, three-component reaction

被引：4

作者：

Jilloju, Shankara Chary ^{[1
,2
]}

Jilloju, Parameshwara Chary ^{[3
]}

Jatavath, Mohanbabu ^{[1
]}

Rao, Mesineni Anand ^{[1
]}

机构：

[1] Osmania Univ, Dept Chem, Hyderabad 500007, Telangana, India

[2] Mahatma Gandhi Univ, Dept Chem & Pharmaceut Sci, Nalgonda 508254, Telangana, India

[3] Natl Inst Technol, Dept Chem, Warangal 506004, Telangana, India

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2021年 / 1237卷

关键词：

Triazole; Thiadiazine; Schiff base; Multi-component reactions; Molecular docking; MULTICOMPONENT REACTION; ANTIBACTERIAL ACTIVITY; DERIVATIVES; INHIBITORS; ANTIFUNGAL; DISCOVERY;

D O I：

10.1016/j.molstruc.2021.130403

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A series of 3-(2-benzylidenehydrazinyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines were synthesized via a one-pot, three-component protocol. The new derivatives were purified and confirmed by their spectroscopic (FT-IR, H-1 NMR, C-13 NMR and Mass) and elemental analysis. Further, the synthesized compounds were screened for the binding interactions with p38MAPK (PDB id: 3BX5) by in-silico molecular docking studies. amongst the synthesized compounds 4f, 4 g, and 4k were interacted with good dock score at active site of p38MAP Kinase. (C) 2021 Elsevier B.V. All rights reserved.

引用

页数：8

共 50 条

[1] Synthesis of novel 4-substituted-7-trifluoromethylquinoline derivatives with nitric oxide releasing properties and their evaluation as analgesic and anti-inflammatory agents [J].

Abadi, AH ;

Hegazy, GH ;

El-Zaher, AA .

BIOORGANIC & MEDICINAL CHEMISTRY, 2005, 13 (20) :5759-5765

[2]

Abhishek K., 2014, INT J DRUG DEV RES, V6, P165

[3] New 6-amino-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and [1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ones: Synthesis, characterization and antibacterial activity evaluation [J].

Almajan, Gabriela Laura ;

Barbuceanu, Stefania-Felicia ;

Saramet, Ioana ;

Draghici, Constantin .

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2010, 45 (07) :3191-3195

[4] Condensed bridgehead nitrogen heterocyclic system: Synthesis and pharmacological activities of 1,2,4-triazolo-[3,4-b]-1,3,4-thiadiazole derivatives of ibuprofen and biphenyl-4-yloxy acetic acid [J].

Amir, Mohd ;

Kumar, Harish ;

Javed, S. A. .

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2008, 43 (10) :2056-2066

[5]

[Anonymous], 2010, GLIDE VERSION 56

[6] Synthesis of 3,6-disubstituted 7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines as novel analgesic/anti-inflammatory compounds [J].

Aytac, S. Peri ;

Tozkoparan, Birsen ;

Kaynak, F. Betuel ;

Aktay, Goeknur ;

Goektas, Oezguer ;

Uenuevar, Songuel .

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2009, 44 (11) :4528-4538

[7]

Badie A., 2017, INTERJ REC RES REV, V3, P5, DOI [:10.13140/RG.2.2.30211.86564, DOI 10.13140/RG.2.2.30211.86564]

[8] Total synthesis of marine natural products without using protecting groups [J].

Baran, Phil S. ;

Maimone, Thomas J. ;

Richter, Jeremy M. .

NATURE, 2007, 446 (7134) :404-408

[9]

Benci Kresimir, 2011, Antiviral Chemistry & Chemotherapy, V21, P221, DOI 10.3851/IMP1762

[10] Efficient synthesis of 2,3-dihydroquinazolin-4(1H)-ones using heterogeneous solid acid catalysts: unexpected formation of 2,3-dihydro-2-(4-(tetrahydro-2H-pyran-2-yloxy)butyl)quinazolin-4(1H)-one [J].

Bharate, Sandip B. ;

Mupparapu, Nagaraju ;

Manda, Sudhakar ;

Bharate, Jaideep B. ;

Mudududdla, Ramesh ;

Yadav, Rammohan R. ;

Vishwakarma, Ram A. .

ARKIVOC, 2012, :308-318

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