Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

In-silico Based Designing of Benzo[d]thiazol-2-amine Derivatives as Analgesic and Anti-Inflammatory Agents

Arun K. Mishra
* ,
Kamal Y Thajudeen
ORCID logo ,
Shahana Salam
,
Mhaveer Singh
,
Gulam Rasool
,
Arvind Kumar
,
Harpreet Singh
,
Kalicharan Sharma
,
Amrita Mishra
Version 1 : Received: 12 June 2023 / Approved: 14 June 2023 / Online: 27 June 2023 (12:34:06 CEST)

How to cite: Mishra, A.K.; Thajudeen, K.Y.; Salam, S.; Singh, M.; Rasool, G.; Kumar, A.; Singh, H.; Sharma, K.; Mishra, A. In-silico Based Designing of Benzo[d]thiazol-2-amine Derivatives as Analgesic and Anti-Inflammatory Agents. Preprints 2023, 2023061064. https://doi.org/10.20944/preprints202306.1064.v1 Mishra, A.K.; Thajudeen, K.Y.; Salam, S.; Singh, M.; Rasool, G.; Kumar, A.; Singh, H.; Sharma, K.; Mishra, A. In-silico Based Designing of Benzo[d]thiazol-2-amine Derivatives as Analgesic and Anti-Inflammatory Agents. Preprints 2023, 2023061064. https://doi.org/10.20944/preprints202306.1064.v1

Abstract

The synthesis of the presented benzo[d]thiazol-2-amine derivatives was performed by condensing-(4-chlorobenzylidene) benzo[d]thiazol-2-amine with a number of substituted phenols in the presence of potassium iodide and anhydrous potassium carbonate in dry acetone. IR spectroscopy, 1HNMRspectroscopy and spectroscopy methods were used to characterize the structural properties of newly synthesized derivatives. In order to observe the attributes of drug-like candidates of these derivatives, the number of their molecular properties was estimated. Benzo[d]thiazol-2-amine derivatives were molecularly docked with selective enzymes COX-1 and COX-2. Findings suggested that Compounds G3, G4, G6, G8 and G11 possess higher binding affinity than diclofenac sodium, when docking was performed with enzyme COX-1. Compounds G1, G3, G6, G8and G10 showed lower binding affinity than Indomethacin when docking performed with enzyme COX-2.In vitro evaluation of the COX-1 and COX-2 enzyme inhibitory activities were performed for synthesized compounds. Compounds 10 and 11 exhibited significant COX-1 and COX- enzyme inhibitory action with IC50 values of 5.0 and 10 µM, respectively. Using the hot plate method and the carrageenan-induced rat paw edema model, the synthesized compounds were screened for their biological activities, including analgesic and anti-inflammatory activities. The highest analgesic action was exhibited by derivative G11and the compound G10 showed the highest anti-inflammatory response.

Keywords

Benzothiazole; Docking; Analgesic; Anti-inflammatory

Subject

Medicine and Pharmacology, Medicine and Pharmacology

Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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