2023-2034 All Rights Reserved. Online Journal of Bioinformatics . You may not store these pages in any form except for your own personal use. All other usage or distribution is illegal under international copyright treaties. Permission to use any of these pages in any other way besides the  before mentioned must be gained in writing from the publisher. This article is exclusively copyrighted in its entirety to OJB publications. This article may be copied once but may not be, reproduced or  re-transmitted without the express permission of the editors. This journal satisfies the refereeing requirements (DEST) for the Higher Education Research Data Collection (Australia). Linking: To link to this page or any pages linking to this page you must link directly to this page only here rather than put up your own page.


 Online Journal of Bioinformatics  

Established 1995

ISSN  1443-2250


 Volume 24 (2):45-56, 2023.

In Silico diaryl-sulfonyl-urea chalcone hybrid anti-inflammatory activity


Bharat Kumar, Bugata Kaladhar.


Dept of Biochemistry/Bioinformatics, GIS, GITAM University, Visakhapatnam, India




Kumar B, Kaladhar B., In Silico diaryl-sulfonyl-urea chalcone hybrid anti-inflammatory activity, Onl J Bioinform., 24 (2):45-56, 2023. Authors report In silico synthesis of diaryl-sulfonyl-urea (DSU) chalcone hybrids anti-inflammatory activity with 2D Qsar docked with Hex and igemDock Quantitative structure activity relationship (QSAR) has with greater molecular surface DSU chalcone hybrids started at 4e then 4u, 4c, 4i and 4d. However, optimal volume, refraction, polarization and mass was found in 4y wherein hydration energy was greatest with logP and <4m. Although optimal structures 4f, 4g, 4m, 4u and 4v had low minimization energies docked by hex v6.3, best structures were 4a, 4b, 4e, 4s and 4y with lowest minimization binding energy when docked by iGEMDOCK. We found that In silico DSU chalcone hybrids could exhibit anti-inflammatory activity.


Key words: In silico, diaryl-sulfonyl-urea, chalcone, docking, anti-inflammatory, QSAR.