Journal ArticleDOI
Novel dibenzosuberene substituted aroyl selenoureas: Synthesis, crystal structure, DFT, molecular docking and biological studies
TLDR
In vitro antibacterial action of aroyl selenourea dibenzosuberene derivatives was evaluated against chosen gram-negative and gram-positive bacteria for their antifungal activity and the binding modes were understood along with the mechanism in opposing the target protein MurB.Abstract:
A series of aroyl selenourea dibenzosuberene (1–3) derivatives were synthesized and characterized by different analytical methods and single crystal X-ray crystallography. Quantum chemical computat...read more
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Synthesis, characterization, in silico and in vitro biological activity studies of Ru(II) (η6-p-cymene) complexes with novel N-dibenzosuberene substituted aroyl selenourea exhibiting Se type coordination
TL;DR: A series of N-dibenzosuberene substituted aroyl selenourea ligands L1,L3 and their Ru(II) (η6-p-cymene) complexes 1-3 were synthesized and characterized by single-crystal XRD method as mentioned in this paper.
Journal ArticleDOI
One-Pot Four-Component Assembling for Selenoureas.
TL;DR: Thirty-three new structures of unsymmetrical selenoureas including three chiral examples and eight cycloselenouReas were achieved in one-pot with only the assistance of a base under mild conditions.
Journal ArticleDOI
Synthesis, characterization, theoretical, molecular docking and in vitro biological activity studies of Ru(II) (η6-p-cymene) complexes with novel aniline substituted aroyl selenoureas.
Moideen Musthafa,Ramaiah Konakanchi,Rakesh Ganguly,Chandrasekar Balachandran,Shin Aoki,Anandaram Sreekanth +5 more
TL;DR: The docking results strongly support the protein binding studies of the complexes and the single-crystal XRD study showed that aroyl selenourea ligand coordinates with Ru via Se novel neutral monodentate atom.
Journal ArticleDOI
Experimental and computational structural studies of 5-substituted-3-(1-arylmethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indoles
Agata Bartyzel,Magda Kondej,Piotr Stępnicki,Tomasz M. Wróbel,Agnieszka A. Kaczor,Agnieszka A. Kaczor +5 more
TL;DR: In this paper, the X-ray analysis conducted for studied compounds proved that interatomic distances and bond angles in their crystal structures lie within normal values, and the most reactive parts of the compounds appear to be the indole and double bond located in tetrahydropyridine moiety.
Journal ArticleDOI
Sol-gel silica doped with 3-(2-naphthoyl)-1,1-dibutylselenourea, an efficient precursor for removal of Pb(II) and Zn(II) from water samples
Rana Farhat Mehmood,Sher Ali Khan,Ezzat Khan,Muhammad Izhar,Ayesha Samee,Muhammad Saeed Akhter +5 more
TL;DR: In this article , the porosity study reveals that the doped sol-gel contains pores which are responsible for the adsorption of metal ions, besides pores present in the material, the ligand possesses active sites (NH, = O, = Se) readily available for coordination with metal ions.
References
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Journal ArticleDOI
The Preparation of Acylselenourea and Selenocarbamate Using Isoselenocyanate
TL;DR: Acyl isoselenocyanates were prepared by a reaction of acyl chloride with KSeCN and were ready for further reaction without concentration as discussed by the authors, however, they were not suitable for further use.
Journal ArticleDOI
Synthesis of an unusual quinazoline alkaloid: theoretical and experimental investigations of its structural, electronic, molecular and biological properties
Shabir H. Lone,Salman Jameel,Muzzaffar A. Bhat,Rayees A. Lone,Ray J. Butcher,Khursheed A. Bhat +5 more
TL;DR: An unusual quinazoline alkaloid (1) was obtained when 2-aminobenzaldehyde was refluxed with pyrrolidine in ethanol for 12h as discussed by the authors.
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Vibrational, structural and electronic properties investigation by DFT calculations and molecular docking studies with DNA topoisomerase II of strychnobrasiline type alkaloids: A theoretical approach for potentially bioactive molecules
TL;DR: In this paper, a combined experimental and theoretical DFT study of the structural, vibrational and electronic properties of strychnobrasiline and 12-hydroxy-10,11-dimethoxystryhnobrasilsine is presented using the Becke three-parameter Lee-Yang-Parr function and 6-311G(2d,p) basis set.
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Speciation of selenomethionine and selenourea using living bacterial cells
TL;DR: In this article, a method for speciation of selenomethionine and selenourea (Se-U) combining a time-controlled solid phase extraction by using living bacterial cells and electrothermal atomic absorption spectrometry (ETAAS) was proposed.
Journal ArticleDOI
Ru(II)-η6-benzene complexes of dibenzosuberenyl appended aroyl/acylthiourea ligands: In vitro biomolecular interaction studies and catalytic transfer hydrogenation
Gandhaveeti Rohini,Jebiti Haribabu,Mani Mary Sheeba,K.N. Aneesrahman,Nattamai Bhuvanesh,Chandrasekhar Balachandran,Ramasamy Karvembu,Anandaram Sreekanth +7 more