Synthesis, in Vitro Cholinesterase Inhibition, Molecular Docking, DFT, and ADME Studies of Novel 1,3,4-Oxadiazole-2-Thiol Derivatives.

A series of 1,3,4-oxadiazole-2-thiol derivatives bearing various alkyl or aryl moieties were designed, synthesized, and characterized using modern spectroscopic methods to yield 17 compounds (6a-6q) that were screened for acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes in the search for 'lead' compounds for Alzheimer's disease treatment (AD). The compounds 6q, 6p, 6k, 6o, and 6l showed inhibitory capability against AChE and BChE, with IC values ranging from 11.73±0.

Synthesis, characterization, and computational study of copper bipyridine complex [Cu (CHN) (NO)] to explore its functional properties.

In the present study, copper (II) complex of 4, 4'-di-tert-butyl-2,2'-bipyridine [Cu (CHN) (NO)], is investigated through its synthesis and characterization using elemental analysis technique, infra-red spectroscopy, and single-crystal analysis. The compound crystallizes in orthorhombic space group 222. The copper atom in the mononuclear complex is hexa coordinated through two nitrogen and four oxygen atoms from bipyridine ligand and nitrate ligands.

Unraveling the Electrical and Magnetic Properties of Layered Conductive Metal-Organic Framework With Atomic Precision.

This paper describes structural elucidation of a layered conductive metal-organic framework (MOF) material Cu (C O ) by microcrystal electron diffraction with sub-angstrom precision. This insight enables the first identification of an unusual π-stacking interaction in a layered MOF material characterized by an extremely short (2.73 Å) close packing of the ligand arising from pancake bonding and ordered water clusters within pores.

Synthesis, Thermal, Structural Analyses, and Photoluminescent Properties of a New Family of Malonate-Containing Lanthanide(III) Coordination Polymers.

Five new Lanthanide(III) complexes of malonic acid (HOOC-CH-COOH); {[Gd(CHO)(HO)]·NO} (), {[Tb(CHO)(HO)]·NO} (), {[Ho(CHO)(HO)]·NO} (), [Er(CHO)(CHO)(HO)] (), and {[Eu(CHO)(CHO)(HO)]·4HO} () were synthesized and characterized by elemental, infrared spectral, and thermal analyses. The structures of compounds - were determined by single crystal X-ray diffraction technique. The X-ray analysis reveals that compounds , , and are isostructural and crystallized in the orthorhombic space group 2.

Novel pyridine-2,4,6-tricarbohydrazide thiourea compounds as small key organic molecules for the potential treatment of type-2 diabetes mellitus: In vitro studies against yeast α- and β-glucosidase and in silico molecular modeling.

A range of novel pyridine-2,4,6-tricarbohydrazide thiourea compounds (4a-i) were synthesized in good to excellent yields (63-92%). The enzyme inhibitory potentials of these compounds were investigated against α- and β-glucosidases because these enzymes play a crucial role in treating type-2 diabetes mellitus (T2DM). As compared to the reference compound acarbose (IC 38.

Organocatalyzed and mechanochemical solvent-free synthesis of novel and functionalized bis-biphenyl substituted thiazolidinones as potent tyrosinase inhibitors: SAR and molecular modeling studies.

Eluding the involvement of solvents in organic synthesis and introducing environment friendly procedures can control environmental problems. A facile and an efficient solvent free mechanochemical method (grinding) is achieved to synthesize novel bis-biphenyl substituted thiazolidinones using non-toxic and cheap N-acetyl glycine (NAG). Organocatalytic condensation of a series of Schiff's bases bearing different substituents with thioglycolic acid produces a variety of thiazolidinones derivatives in good to excellent yield.

An Efficient Synthesis of bi-Aryl Pyrimidine Heterocycles: Potential New Drug Candidates to Treat Alzheimer's Disease.

A series of 13 novel pyrimidine-based sulfonamides 6a-m were synthesized in short periods of time under microwave conditions in good to excellent yield (54-86%). The chemical structures of these heterocycles consist of a central pyrimidine ring having a phenyl group and pyrimidine groups with sulfonamide motifs. The enzyme inhibitory potential of these compounds was investigated against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) because these enzymes play a crucial role in the treatment of Alzheimer's disease.

Novel biphenyl bis-sulfonamides as acetyl and butyrylcholinesterase inhibitors: Synthesis, biological evaluation and molecular modeling studies.

A series of new biphenyl bis-sulfonamide derivatives 2a-3p were synthesized in good to excellent yield (76-98%). The inhibitory potential of the synthesized compounds on acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) was investigated. Most of the screened compounds showed modest in vitro inhibition for both AChE and BChE.

Pyridine sulfonamide as a small key organic molecule for the potential treatment of type-II diabetes mellitus and Alzheimer's disease: In vitro studies against yeast α-glucosidase, acetylcholinesterase and butyrylcholinesterase.

This paper presents the efficient high yield synthesis of novel pyridine 2,4,6-tricarbohydrazide derivatives (4a-4i) along with their α-glucosidase, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibition activities. The enzymes inhibition results showed the potential of synthesized compounds in controlling both type-II diabetes mellitus and Alzheimer's disease. In vitro biological investigations revealed that most of compounds were more active against yeast α-glucosidase than the reference compound acarbose (IC50 38.

Stability indicating RP-HPLC method for simultaneous determination of piroxicam and ofloxacin in binary combination.

A simple and precise RP-HPLC method was developed for simultaneous determination of piroxicam and ofloxacin in pharmaceutical formulations and human serum. Optimum separations of piroxicam, ofloxacin and stress-induced degradation products were achieved by use of Hypersil BDS C8 column (250 x 4.6mm, 5 μm).

Novel pyridine-2,4,6-tricarbohydrazide derivatives: design, synthesis, characterization and in vitro biological evaluation as α- and β-glucosidase inhibitors.

A range of novel pyridine 2,4,6-tricarbohydrazide derivatives (4a-4h) were synthesized and its biological inhibition towards α- and β-glucosidases was studied. Most of the compounds demonstrate to be active against α-glucosidase, and quite inactive/completely inactive against β-glucosidase. A number of compounds were found to be more active against α-glucosidase than the reference compound acarbose (IC50 38.

Novel synthesis of dihydropyrimidines for α-glucosidase inhibition to treat type 2 diabetes: in vitro biological evaluation and in silico docking.

A convenient and efficient new method has been established for the synthesis of dihydropyrimidines by inexpensive and non-toxic N-acetyl glycine (NAG) catalysed reaction of aromatic aldehydes with ethyl acetoacetate and urea/thiourea. This method is applicable for various substituted aldehydes as well as urea and thiourea. It has also been used to synthesize bicyclic oxygen-bridged pyrimidine derivatives (4d, 4j).

N,N,N',N'-Tetra-methyl-ethylene-diammonium tetra-chlorido-zincate.

The asymmetric unit of the title compound, (C6H18N2)[ZnCl4], consists of one tetra-chlorido-zincate anion and two half-N,N,N'N'-tetra-methyl-ethylenedi-ammonium cations. Each of the two di-ammonium cations is located about an inversion center and one of them is disordered over two sets of sites in a 0.780 (17):0.

2-Chloro-6-(2,3-di-chloro-benzene-sulfonamido)-benzoic acid.

In the title compound, C13H8Cl3NO4S, the aromatic rings are oriented at a dihedral angle of 68.94 (1)° and the mol-ecule adopts a V-shape. An intra-molecular N-H⋯O inter-action generates a six-membered S(6) ring motif.

3-Chloro-4-[2-(4-chloro-benzyl-idene)hydrazinyl-idene]-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothia-zine-2,2-dione.

In the title compound, C16H13Cl2N3O2S, the dihedral angle between the aromatic rings is 6.62 (2)° and the C=N-N=C torsion angle is 176.2 (4)°.

Anilinium-3-carboxyl-ate 3-carb-oxy-anilinium nitrate.

The title compound, C7H8NO2(+)·NO3(-)·C7H7NO2, exists in the form of a protonated dimer of two anilinium-3-carboxyl-ate mol-ecules related by an inversion center, and a nitrate anion located on a twofold rotation axis. The bridging H atom occupies, with equal probability, the two sites associated with the carboxyl atoms. In addition to the strong O-H⋯O hydrogen bond, in the crystal, the various units are linked via N-H⋯O and C-H⋯O hydrogen bonds forming a three-dimensional structure.

2-(Naphthalene-2-sulfonamido)-3-phenyl-propanoic acid.

In the title compound, C(19)H(17)NO(4)S, the phenyl ring and the naphthalene ring system are oriented at a dihedral angle of 4.12 (2)° and the mol-ecule adopts a U-shaped conformation. The C(c)-C-N-S (c = carb-oxy) torsion angle is 90.

3-Chloro-1-methyl-4-[2-(3-phenyl-allyl-idene)hydrazinyl-idene]-3,4-dihydro-1H-2λ(6),1-benzothia-zine-2,2-dione.

In the title compound, C(18)H(16)ClN(3)O(2)S, the dihedral angle between the aromatic rings is 4.81 (2)° and the alkyl chain takes on an extended conformation [N-C-C-C = 179.2 (4)°].

6-Bromo-1-methyl-4-[2-(1-phenyl-ethyl-idene)hydrazinyl-idene]-3,4-dihydro-1H-2λ(6),1-benzothia-zine-2,2-dione.

In the title compound, C(17)H(16)BrN(3)O(2)S, the dihedral angle between the aromatic rings is 1.24 (15)° and the C=N-N=C torsion angle is 167.7 (3)°.

N,N-Bis(2-hy-droxy-eth-yl)-4-methyl-benzene-sulfonamide.

In the title compound C(11)H(17)NO(4)S, an intra-molecular O-H⋯O hydrogen bond forms an S(8) ring and determines the conformation of the bis-(2-hy-droxy-eth-yl) segment of the mol-ecule, holding the two CH(2)CH(2)OH groups close to coplanar (r.m.s.

2-(1H-Indol-3-yl)acetohydrazide.

In the title compound C(10)H(11)N(3)O, the mean plane of the indole ring system (r.m.s.

Hexa-kis-(μ(3)-1-methyl-thio-urea-κ(3)S:S:S)hexa-kis-[iodidocopper(I)].

The title compound, [Cu(6)I(6)(C(2)H(6)N(2)S)(6)], was obtained from the reaction of copper(I) iodide with N-methyl-thio-urea (Metu) in equimolar amounts in acetonitile. The complex consists of two six-membered trinuclear Cu(3)S(3)I(3) cores that combine through triply bridging Metu, forming a hexa-nuclear core which has -3 symmetry. The Cu(II) atom is coordinated by three S atoms of Metu and one iodide ion in a distorted tetra-hedral geometry.

N-(2,3-Dimethyl-phen-yl)-4-methyl-N-(4-methyl-phenyl-sulfon-yl)benzene-sulfonamide.

In the title compound, C(22)H(23)NO(4)S(2), the dihedral angles between the dimethyl-phenyl ring and the two methyl-phenyl rings are 41.19 (15) and 20.50 (17)°; the dihedral angle between the methyl-phenyl rings is 48.

N-(2,3-Dimethyl-phen-yl)-4-fluoro-N-[(4-fluoro-phen-yl)sulfon-yl]benzene-sulfonamide.

In the title compound, C(20)H(17)F(2)NO(4)S(2), the dihedral angles between the o-xylene ring and the fluoro-benzene rings are 31.7 (1) and 32.8 (1)°, and the dihedral angle between the fluoro-benzene rings is 50.

(4Z)-1-Methyl-4-[(2E)-2-(4-methyl-benzyl-idene)hydrazin-1-yl-idene]-3,4-dihydro-1H-2λ(6),1-benzothia-zine-2,2-dione.

In the title compound, C(17)H(17)N(3)O(2)S, the dihedral angle between the aromatic rings is 6.3 (5)° and the C=N-N=C group is statistically planar [torsion angle = 179.8 (8)°].