000			a
999			_c16097 _d16097
003			OSt
005			20220129113450.0
008			220129b xxu||||| |||| 00| 0 eng d
040			_aAIKTC-KRRC _cAIKTC-KRRC
100			_915658 _aManickam, R.
245			_aSynthesis, crystal structure, density functional theory, Hirshfeld surface analysis and molecular docking studies of 2-(2-phenylanthracen-9-yl)thiophene derivatives
250			_aVol.60B(3), March
260			_aNew Delhi _bCSIR _c2021
300			_a439-445p.
520			_aThiophene containing molecules have been distinguished as potential candidates in the largely emergent chemical world of heterocyclic compounds that show likely pharmacological characteristics. The knowledge of a mixture of synthetic pathways and the different physicochemical parameters of such compounds describe the especial interest of medicinal chemists to produce combinatorial collections and carry out in-depth efforts in the search of lead molecules. Among the various group of compounds studied, thiophene moieties stand out as unique in features due to their biological, pharmacological and medicinal properties. Synthesis, crystal structure, conformation and density functional theory of 2-(2-phenylanthracen-9-yl)thiophene derivative have been investigated in detail. Thiophene moiety are in planar conformation and having C-H…O type of hydrogen bonds and Van der Waals forces. Density functional theory has been applied to the thiophene derivative. Thiophene compounds score highly against the targeted protein and can be compared to the co-crystal ligand. Hirshfeld surface studies have been used to confirm and quantify the supramolecular features.
650		0	_95009 _aGENERAL CHEMISTRY
700			_915659 _aJagadeesan, G.
773	0		_tIndian journal of chemistry (Section B) _dNew Delhi NISCAIR-CSIR 2005
856			_uhttp://nopr.niscair.res.in/bitstream/123456789/56388/1/IJCB%2060B%283%29%20439-445.pdf _yClick here
942			_2ddc _cAR