We present a self-organizing map (SOM) approach to predicting macromolecular targets for combinatorial compound libraries. The aim was to study the usefulness of the SOM in combination with a topological pharmacophore representation (CATS) for selecting biologically active compounds from a virtual combinatorial compound collection, taking the multi-component Biginelli dihydropyrimidine reaction...

In order to develop a better bioactive molecules with good efficacy, we synthesized a new series of Thiazolo [3,2-a] pyrimidine derivatives with good yield and studied their anthelmintic properties, structureactivity relationships (SARs). A new series of Thiazolo[3,2-a]pyrimidines have been synthesized through duff formylation, ‘One pot’ Biginelli reaction, cyclization followed by knoevenagel c...

Dioxidovanadium(V) complex [VVO2(sal-aebmz)] (1) (where Hsal-aebmz = Schiff base derived from the condensation of salicylaldehyde and 2-aminoethylbenzimidazole) has been immobilized on chloromethylated polystyrene (PS-Cl) cross-linked with divinylbenzene to obtain [VVO2(sal-aebmz)]@PS (2), a heterogeneous complex. Both complexes, after characterization, have used as catalysts explore single pot...

We report herein the synthesis of a new biologically active 3,4-dihydropyrimidin-2(1H)-thione derivative (4) from 9-phenanthrenecarboxaldehyde, thiourea, and methyl acetoacetate by Biginelli reaction. The structure synthesized compound was investigated NMR spectroscopy, mass spectrometry, elemental analysis. Moreover, to gain insight into conformation crystal packing, novel dihydropyrimidine al...

A new and efficient method has been developed for the synthesis of 4-aryl-7-benzylidene-1,3,4,5,6,7-hexahydro-2H-cyclopenta[d]pyrimidin-2-ones through Biginelli-like reaction of cyclopentanone, with urea/thiourea and aromatic aldehyde employing p-dodecylbenzenesulfonic acid (DBSA) as a recyclable catalyst under solvent-free condition. The recovered catalyst was recycled for further runs. The pr...

As part of our search for anti-breast cancer agents a new series of tricyclic 4-substituted-2-yl)-2thioxo-3, 4-dihydro-1H-indeno [1, 2-d] pyrimidin-5(2H)-one 4-9 were obtained in one pot synthesis by a modification of the Biginelli Reaction. The structures of the synthesized compounds were characterized by microanalyses, IR, H-NMR, C-NMR and mass spectral data. All the synthesized compounds wer...

Three new metal coordination polymers, namely, [Co(DPP)2(H2O)2]·(BS)2·2H2O (1), [Co(DPP)2(H2O)2]·(ABS)2·2H2O (2) and [Co(DPP)2(MBS)2] (3) [DPP = 1,3-di(pyridin-4-yl)propane, BS = phenyl sulfonic acid, ABS = p-aminobenzene sulfonic acid, MBS = p-methylbenzene sulfonic acid] were obtained under hydrothermal conditions. Complexes 1-3 were structurally characterized using X-ray single-crystal diffr...

The unregulated use of organophosphates (OPs) as pesticides and toxic chemical warfare agents demands their continuous monitoring from a human health perspective. This study describes a fluorescence turn-on sensing assay for the selective quantification of OPs in aqueous medium. Metal complexes of two different Biginelli derivatives were processed in water through a reprecipitation technique. T...

Tethered Biginelli condensation of enantioenriched hexahydropyrrolopyrimidines 8 with beta-ketoesters provides efficient asymmetric access to tricyclic guanidines 9 having a syn relationship of the angular C2a and C8a hydrogens. This reaction was employed to realize the first practical enantioselective access to this fragment of batzelladine alkaloids B (2) and E (5). The efficiency of this str...

Heterocyclic compounds containing a pyrimidine nucleus are of special interests thanks to their applications in medicinal chemistry as they are the basic skeleton of several bioactive compounds such as antifungal, antibacterial, antitumor and antitubercular. As a part of our research in the synthesis of pyrimidine derivatives containing biological activities, some new tetrahydropyrimidine deriv...