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OJBTM
Online
Journal of Bioinformatics ©
Volume 21(1): 86-96, 2020.
In Silico synthesis of diarylsulfonylurea
chalcone hybrids
and anti-inflammatory
activity.
Bharat Kumar Bugata, Kaladhar
DSVGK
Department of Biochemistry,
Bioinformatics, GIS, GITAM University, Visakhapatnam, India
ABSTRACT
Kumar Bugata B, Kaladhar DSVGK., In
Silico synthesis of diarylsulfonylurea chalcone hybrids and anti-inflammatory activity, Onl J Bioinform., 21(1): 86-96, 2020. We report In silico synthesis of diarylsulfonylurea chalcone hybrids and its potential anti-inflammatory
activity. The activity of Diarylsulfonylurea Chalcone Hybrids using 2D Qsar
and docking with Hex and igemDock is described. QSAR
showed greater molecular surface with 4e and then 4u, 4c, 4i and 4d. Volume, refractivity, polarizability and mass was
greatest with 4y, hydration energy is more with logP
and less for 4m. The most five preferable structures (4f, 4g, 4m, 4u and 4v)
having least minimization energies with docked structural comparison using hex
v6.3. The five preferable structures (4a, 4b, 4e, 4s and 4y) had least
minimization energies with the active binding sites and docked Structural
Comparison using iGEMDOCK. Our in silico Diarylsulfonylurea Chalcone
Hybrids exhibited anti-inflammatory activity.
Key words: Synthesized Diarylsulfonylurea
Chalcone Hybrids, docking, anti-inflammatory
activity, QSAR