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Design, Synthesis, Biological and Docking Studies of Novel 6-fluorobenzothiazole Substituted 1,2,4-Triazole Analogues as Prospective Anti-inflammatory Agents.

Article

Last updated: 01 Jan 2025

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Subjects

-

Tags

Pharmaceutical Chemistry

Abstract

The Part of the body's immunological reaction to an external stimulus is inflammation. It is helpful initially because it starts with the mending process. It is concerning, though, because inflammation has the ability to self-replicate, causing new inflammation to arise in reaction to pre-existing inflammation. In this study, a novel series of 6-Fluoro Benzothiazole substituted 1,2,4-Triazole derivatives were synthesized as prospective anti-inflammatory agents. The newly created substances were examined using mass spectrometry, 1H-NMR, 13C-NMR, and FTIR. First, the compounds underwent rigorous in vivo testing for acute toxicity and anti-inflammatory activity. To further validate these findings, an in silico docking study was carried out against COX-2 (PDB ID: 1pxx). The in vivo results revealed that three compounds-TZ9, TZ2, and TZ1, displayed no acute toxicity and significant anti-inflammatory activity, surpassing the efficacy of the standard drug, diclofenac sodium. Notably, TZ9, which featured diphenyl amino substitution, emerged as the most potent anti-inflammatory agent among the screened compounds. The computational analysis demonstrated that TZ9, and TZ2, exhibited substantial binding affinity, with the highest binding energies (-11.6 and -10.2, Kcal/mol) compared to diclofenac (-8.4 Kcal/mol). This alignment between in vivo and in silico data supported the robust anti-inflammatory potential of these derivatives. According to this work, the anti-inflammatory action of benzothiazole substituted with diphenyl amine, tyrosine, ortho Phenylene diamine and 4-amino benzoic acid at the seventh position is enhanced. The synthesised compounds were also characterised by solubility, TLC, analytical data, IR, 1HNMR, and mass spectrum examinations.

DOI

10.21608/ejchem.2024.277247.9460

Keywords

Benzothiazole, COX-2, anti-inflammatory activity, binding affinity, Diclofenac

Authors

First Name

Yazdan

Last Name

Shaik Khadar

MiddleName

-

Affiliation

Chebrolu Hanumaiah Institute of Pharmaceutical Sciences, Chowdavaram, Guntur -522019, A. P., India.

Email

sk_yazdani@yahoo.com

City

Guntur

Orcid

-

First Name

Laksmi Deepthi

Last Name

Kurni

MiddleName

-

Affiliation

Sreedattha institute of pharmacy, Sheriguda, Ibrahimpatnam, Hyderabad, RR dist. Telangana, India

Email

deepthi.kurni@gmail.com

City

Hyderabad

Orcid

-

First Name

Laxmi Devi

Last Name

BN

MiddleName

-

Affiliation

Joginapally B.R.Pharmacy college Yenkapally, Moinabad, Hyderabad, Telangana 500075

Email

lakshmidevibn@gmail.com

City

Hyderabad

Orcid

-

First Name

Afreen

Last Name

Sajida

MiddleName

-

Affiliation

Rbvrr Womens College of Pharmacy, Barkatpura.Hyderabad.

Email

sajidaafreen32@gmail.com

City

Hyderabad

Orcid

-

First Name

Subramanyam

Last Name

Sibbala

MiddleName

-

Affiliation

Department of Pharmaceutical Sciences, Vignan's Foundation for Sciences, Technology and Research, Vadlamudi, Guntur, A.P-522213.

Email

drss_pharma@vignan.ac.in

City

-

Orcid

-

First Name

Bhadru

Last Name

Banothu

MiddleName

-

Affiliation

Department of Pharmaceutical Analysis, CMR College of Pharmacy, Kandlakoya, Medchal, Hyderabad, Telangana, India.

Email

bhadrubanothu@gmail.com

City

Guntur

Orcid

-

First Name

Madhu

Last Name

Gudipati

MiddleName

-

Affiliation

Department of Pharmaceutics, KITS College of Pharmacy for Women, Divili, Tirupathi (V), Peddapuram (M), Kakinada (Dt)-533 433, Andhra Pradesh.

Email

madhugudipati77@gmail.com

City

-

Orcid

-

First Name

Vijay Kishore

Last Name

Kanakaraju

MiddleName

-

Affiliation

Department of Pharmaceutical Chemistry, College of Pharmaceutical Sciences, Acharya Nagarjuna University, Guntur, Andhra Pradesh, India.

Email

drvijayakishore@gmail.com

City

-

Orcid

-

First Name

Naresh

Last Name

Podila

MiddleName

-

Affiliation

Department of Pharmaceutical Sciences, School of Biotechnology and Pharmaceutical Sciences, Vignan's Foundation for Science, Technology and Research, Vadlamudi, Guntur, A.P., India-522213.

Email

nareshtrcp10@gmail.com

City

-

Orcid

0000-0001-7074-5102

Volume

67

Article Issue

12

Related Issue

50716

Issue Date

2024-12-01

Receive Date

2024-03-18

Publish Date

2024-12-01

Page Start

97

Page End

109

Print ISSN

0449-2285

Online ISSN

2357-0245

Article File

EJCHEM_Volume 67_Issue 12_Pages 97-109.pdf

PDF . 1.1MB

Link

https://ejchem.journals.ekb.eg/article_368480.html

Detail API

https://ejchem.journals.ekb.eg/service?article_code=368480

Order

368,480

Type

Original Article

Type Code

297

Publication Type

Journal

Publication Title

Egyptian Journal of Chemistry

Publication Link

https://ejchem.journals.ekb.eg/

MainTitle

Design, Synthesis, Biological and Docking Studies of Novel 6-fluorobenzothiazole Substituted 1,2,4-Triazole Analogues as Prospective Anti-inflammatory Agents.

Details

Type

Article

Created At

30 Dec 2024