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Background: Staphylococcus aureus is a gram-positive spherical bacterium commonly present in nasal fossae and in the skin of healthy people; however, in high quantities, it can lead to complications that compromise health. The pathologies involved include simple infections, such as folliculitis, acne, and delay in the process of wound healing, as well as serious infections in the CNS, meninges, lung, heart, and other areas. Aim: This research aims to propose a series of molecules derived from 2-naphthoic acid as a bioactive in the fight against S. aureus bacteria through in silico studies using molecular modeling tools. Methods: A virtual screening of analogues was done in consideration of the results that showed activity according to the prediction model performed in the KNIME Analytics Platform 3.6, violations of the Lipinski rule, absorption rate, cytotoxicity risks, energy of binder-receptor interaction through molecular docking, and the stability of the best profile ligands in the active site of the proteins used (PDB ID 4DXD and 4WVG). Results: Seven of the 48 analogues analyzed showed promising results for bactericidal action against S. aureus. Conclusion: It is possible to conclude that ten of the 48 compounds derived from 2-naphthoic acid presented activity based on the prediction model generated, of which seven presented no toxicity and up to one violation to the Lipinski rule.

Direct difunctionalization of chemically distinct ortho- and peri-C–H bonds of fused hetero(arenes) is illustrated through an unusual one-pot domino {[4 + 2] & [5 + 2]} double annulation with alkynes for the first time. This process is viable under Ru(II)-catalysis using a sulfoximine directing group and builds four bonds [(C–C)–(C–N) and (C–C)–(C–O)] in a single operation. Such synthetic manifestation offers access to uncommon [6,7]-fused oxepino-pyridine skeletons. DFT calculations provide mechanistic insight into this double annulation of naphthoic acid derivatives with alkynes and corroborate the participation of a ruthena-oxabicyclooctene intermediate, which is responsible for the rare 7-membered ring formation.

Scanning tunneling microscopy was used to study the self-assembly of three molecules on the Au(111) surface: 2-naphthoic acid, quinaldic acid, and 3-quinoline carboxylic acid. All three compounds c...

Transition metal complexes of Mn(II), Co(II) and Cu(II) with dibasic tridentate Schiff base derived from the condensation of thiosemi-carbazide with acetoacetanilide as primary ligand and 1-hydroxy-2-naphthoic acid as co-ligand have been synthesized. The mixed ligand complexes of the above mentioned metal ions were characterized by analytical, magnetic and electronic spectral study. The transition metal complexes were also evaluated for antifungal activity against Drechslera tetramera, Fusarium oxysporum and Aternaria alternata at different concentrations.

Complex formation equilibria of 2-hydroxy-1-naphthoic acid with Cu2+, Ni2+, Co2+ and Mn2+ and the ternary complexes involving Cu2+, 2-hydroxy-1-naphthoic acid and some amino acids containing different functional groups are investigated. Stoichiometry and stability constants for the complexes are estimated at 25 oC and 0.1M ionic strength in 50% dioxane-water mixture. The stability of the complexes follows the trend Cu2+ > Ni2+ > Co2+ > Mn2+, which is in agreement with the Irving–Williams order of the metal ions. Ternary complexes of amino acids are formed by a simultaneous mechanism. The stabilities of ternary complexes are quantitatively compared with their corresponding binary complexes. The concentration distribution diagrams of the complexes were evaluated.

Two new compounds, named leptospyranonaphthazarin A ( 1 ) and leptosnaphthoic acid A ( 2 ), together with four known compounds ( 3–6 ) were isolated from an endophytic fungus Leptosphaerulina sp. SKS032. Their structures were assigned using spectroscopic methods, computational methods, and single-crystal X-ray diffraction analysis. In the antibiotic assay, compounds 1 , 2 , and 6 exhibited antibacterial activities against Staphylococcus aureus with minimal inhibitory concentration (MIC) values of 25.0, 50.0, and 50.0 μg/mL, respectively.

In traditional ionic liquids (ILs)-based microextraction, ILs are often used as extraction and dispersive solvents; however, their functional effects are not fully utilized. Herein, we developed a novel ionic liquid 1-butyl-3-methylimidazolium naphthoic acid salt ([C4MIM][NPA]) with strong acidity. It was used as a mixed dispersive solvent with conventional [C2MIM][BF4] in "functionalized ionic liquid-based non-organic solvent microextraction (FIL-NOSM)" for determination of tetracycline antibiotics (TCs) in milk and eggs. Utilization of [C4MIM][NPA] in FIL-NOSM method increased extraction recoveries (ERs) of TCs by more than 20% and eliminated the pH adjustment step because of its strong acidity. Under optimized conditions based on central composite design, the ERs of four TCs were 94.1-102.1%, and the limitsofdetection were 0.08-1.12μgkg(-1) in milk and egg samples. This proposed method provides high extraction efficiency, less pretreatment time and requires non-organic solvents for determination of trace TC concentrations in complex animal-based food matrices.

A series of polynuclear heterometallic cobalt(II) 2-naphthoate complexes with lithium(I), magnesium(II), and europium(III) is synthesized: [(2,2′-Bipy)2Li2Co2(Naph)6], [(2,4-Lut)2Co2Mg(Naph)6], and [(2,2′-Bipy)2(EtOH)2Co2Eu2(Naph)10] (Naph is 2-naphthoic acid anion, 2,2′-Bipy is 2,2′-bipyridine, and 2,4-Lut is 2,4-lutidine). The single crystals of the synthesized compounds are characterized by X-ray diffraction analysis (CIF files CCDC 1401987 (I), 1401988 (II), 1401989 (III), and 1401990 (IV)). The compositions and structures of the molecular heterometallic complexes based on cobalt(II) cations and anions of 2-naphthoic acid are determined by the radius and coordination number of the introduced heterometal: the isomorphic substitution of one of the cobalt(II) ions is observed for the magnesium(II) complex, and tetranuclear complexes are formed in the case of lithium(I) and europium(III).

A new Cd(II) coordination polymer, [Cd(CNA)] n (1) (H2CNA = 3-(carboxymethoxy)-2-naphthoic acid), was hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction. The crystals are monoclinic, space group P21/c with a = 16.9698(18), b = 7.8314(8), c = 8.9553(10) Å, β = 100.657(2)°, V = 1169.6(2) Å3, Z = 4, D calcd. = 2.03 g cm−3, μ(MoK α ) = 1.9 mm−1, F(000) = 696 e, R = 0.0305, wR = 0.0784 for 172 refined parameters and 2285 data. Each CNA anion bridges three Cd(II) cations to give rise to a two-dimensional network structure. Topologically, if each CNA anion is regarded as a linker, and each Cd(II) atom considered as a 4-conencted node, the structure is simplified as a 4-connected (4,4) network. The solid state photoluminescent properties of the compound were also studied at room temperature.

C16H11NO2, triclinic, P1̅, a = 7.3496(15) Å, b = 9.3709(17) Å, c = 9.4112(16) Å, α = 104.712(6)°, β = 96.261(7)°, γ = 103.400(7)°, V = 600.1(2) Å3, Z = 2, R gt (F) = 0.0466, wR ref (F 2 ) = 0.1203, T = 299 K.

Following previous acido-potentiometric technics for the titration of citric acid and alcaline citrates after treatment with ion exchange resins, which are rapid and precise but not specific, a new technic is describediit is based on the use of the complexing power of the citric ions toward Ca++. The citric ion is assayed in the presence of specific indicator of the free Ca++ ionithe 2-hydroxy-1 (2-hydroxy-4-sulfo-naphthylazo) -naphthoic acid, by a titrated solution of Ca++. This assay is more specific insofar as it allows to determine the desionizing power of the calcium++, which is investigated in the anticoagulant solution, and enables us to make serial controls.

The metal complexes of Cu(II) with thiosemicarbazones as primary and naphthoic acid as co-ligand are synthesized and characterized. The structure of newly synthesized complexes and the ligands were estabilished with U.V, I.R, Magnetic moment study and elememtal analysis. The ligand and the complexe were also screened for their fungicidal activity against different fungi viz- Drechlera tetramera, Alterntria alternate and Fusarium oxysporum.