Synthesis and Characterization of Coordinatively Unsaturated Copper (II) Complexes of 1,3-Bis(2'-Pyridyl)-1,2-Diaza-2-Butene and Their Antityrosinase Activity

The coordinatively unsaturated copper (II) complexes of 1,3-bis(2'-pyridyl)-1,2-diaza-2- butene with different ancillary anions were synthesized which can bind to copper centers of tyrosinase enzyme. The compounds were found to exhibit inhibitory activities against mushroom tyrosinase and the nature and extent of inhibition is modulated according to the type of ancillary anions

(Z)-2-(2-Isopropyl-5-methyl­phen­oxy)-N′-(2-oxoindolin-3-yl­idene)acetohydrazide

In the title Mannich base, C20H21N3O3, an isatin derivative of thymol, the O—CH2—C(=O)–N(H)—N fragment connect­ing the aromatic and fused-ring systems is approximately planar, with the N—N single bond in a Z configuration. The amino H atom of this N—N fragment is intra­molecularly hydrogen bonded to the carbonyl O atom of the indolinone fused ring as well as to the phen­oxy O atom of the aromatic ring. The amino H atom of the indoline fused ring forms a hydrogen bond with the double-bond O atom of an adjacent mol­ecule, this hydrogen bond giving rise to a linear chain motif

2-{[{2-Hy­droxy-3-[2-methyl-5-(propan-2-yl)phen­oxy]prop­yl}(pyridin-2-ylmeth­yl)amino]­meth­yl}phenol

In the title racemic compound, C26H32N2O3, an intra­molecular O—H⋯N hydrogen bond is formed between the phenolic OH group and the tertiary amine N atom. Another O—H⋯N hydrogen bond that is formed between the OH group and the pyridine N atom links the mol­ecules into a polymeric chain extending along the a axis. The structure is further stabilized by intramolecular and intermolecular C—H⋯O interactions

<span style="font-size:12.0pt;font-family:"Times New Roman","serif"; mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;color:black; mso-ansi-language:EN-IN;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">X-ray crystal structure of the cytotoxic planar Ni(II) complex of ⁴N-dimethy <span style="font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family: Fd694969-Identity-H;color:black;mso-ansi-language:EN-IN;mso-fareast-language: EN-US;mso-bidi-language:AR-SA">1-<span style="font-size:12.0pt; font-family:"Times New Roman","serif";mso-fareast-font-family:Calibri; mso-fareast-theme-font:minor-latin;color:black;mso-ansi-language:EN-IN; mso-fareast-language:EN-US;mso-bidi-language:AR-SA">2-acetylpyridine thiosemicarbazone</span></span></span>

981-984Transition metal complexes of thiosemicarbazone ligands are emerging as a <span style="font-size:12.0pt; font-family:" times="" new="" roman","serif";mso-fareast-font-family:calibri;="" mso-fareast-theme-font:minor-latin;color:#0f0f0f;mso-ansi-language:en-in;="" mso-fareast-language:en-us;mso-bidi-language:ar-sa"="">new class of non-platinum experimental anticancer chemotherapeutic compounds. 1-3<span style="font-size:12.0pt; font-family:" times="" new="" roman","serif";mso-fareast-font-family:fd687457-identity-h;="" color:#0f0f0f;mso-ansi-language:en-in;mso-fareast-language:en-us;mso-bidi-language:="" ar-sa"=""> The observed cytotoxicities of the active complexes have been thought to arise from their interaction with intracellular thiols such <span style="font-size: 12.0pt;font-family:" times="" new="" roman","serif";mso-fareast-font-family:fd687457-identity-h;="" color:#0f0f0f;mso-ansi-language:en-in;mso-fareast-language:en-us;mso-bidi-language:="" ar-sa"="">as glutathiones (GSH) generating a thiolato Complex of the type [ML]+ <span style="font-size:12.0pt; font-family:" times="" new="" roman","serif";mso-fareast-font-family:calibri;="" mso-fareast-theme-font:minor-latin;color:#0f0f0f;mso-ansi-language:en-in;="" mso-fareast-language:en-us;mso-bidi-language:ar-sa"="">which in turn <span style="font-size:12.0pt; font-family:" times="" new="" roman","serif";mso-fareast-font-family:calibri;="" mso-fareast-theme-font:minor-latin;color:#0f0f0f;mso-ansi-language:en-in;="" mso-fareast-language:en-us;mso-bidi-language:ar-sa"="">is capable of promoting redox reactions with other thiols and oxygen generating the disulphide species (GSSG) alongwith superoxide and hydroxyl radicals.<span style="font-size: 12.0pt;font-family:" times="" new="" roman","serif";mso-fareast-font-family:fd687457-identity-h;="" color:#0f0f0f;mso-ansi-language:en-in;mso-fareast-language:en-us;mso-bidi-language:="" ar-sa"=""> 4 The other possibility involves the binding of the drug to the enzyme, viz., ribonucleotide  reductase, an obligatory enzyme for DNA synthesis, thereby hindering or blocking the DNA replication.</span

<span style="font-size:12.0pt;line-height:115%; font-family:"Times New Roman","serif";mso-fareast-font-family:Calibri; mso-fareast-theme-font:minor-latin;mso-ansi-language:EN-IN;mso-fareast-language: EN-US;mso-bidi-language:AR-SA">Crystal structure of cationic complex of 2[Co^III (APOTSC)₂]⁺[Co^IICI₄]^2-</span>

977-980<span style="font-size:12.0pt;line-height:115%; font-family:" times="" new="" roman","serif";mso-fareast-font-family:calibri;="" mso-fareast-theme-font:minor-latin;mso-ansi-language:en-in;mso-fareast-language:="" en-us;mso-bidi-language:ar-sa"="">The reaction between 4N-dimethyl-2-acetylpyridine-N-oxide thiosemicarbazone (HAPOTSC) ligand and cobalt chloride leads to the formation of a cationic complex containing two thiolato N-oxide thiosemicarbazone ligands, which has been characterized by spectroscopic and X-ray crystallographic studies.</span

Design, synthesis, and in silico studies of benzimidazoles of thymol as potent antiplasmodial and antimicrobial agents

This study presents an efficient one pot two steps synthesis of a new series of naturally occurring phenolic monoterpenoid based (thymol) benzimidazole derivatives (3a-i) by green approach. The structures of all newly synthesized benzimidazoles are confirmed by 1H NMR, 13C NMR, Mass, and FT-IR spectroscopic analyses. The synthesized compounds were examined for their in vitro antimalarial, antioxidant and antimicrobial activities. Antimalarial activity tested against P. falciparum strain, the IC50 values of all the tested compounds are in the range from 0.32 to 1.54 μg/mL. Biological screening revealed that some synthesized benzimidazoles possess very interesting biological activities. Molecular docking simulation against the potent inhibitors Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) enzyme indicated that potent compounds 3a, 3f, and 3 g have significant binding energy (-7.9 to −9.7 Kcal/mol). The in silico ADME properties estimated for the synthesized compounds indicated them as very good oral bioavailability drugs

Synthesis, crystal structures and antimicrobial activity of palladium metal complexes of sulfonyl hydrazone ligands

Palladium complexes of sulfonyl hydrazone based ligands have been prepared by refluxing with the corresponding ligands and Pd(II) salt in 2:1 ratio. The compounds have been characterized by FT-IR and UV-Vis spectroscopic methods. The crystal structure of the prepared palladium complexes has been determined by single-crystal X-ray crystallographic technique. Crystal data for C40H50N4O6PdS2 (PMHT-Pd(II) complex): triclinic, space group P-1 (no. 2), a = 7.1561(6) Å, b = 12.1300(11) Å, c = 12.6117(17) Å, α = 63.498(11)°, β = 86.694(9)°, γ = 81.451(7)° and Z = 1. The final R1 was 0.0699 (I > 2σ(I)) and wR2 was 0.1834 (all data). Crystal data for C36H42N4O6PdS2 (PTHC-Pd(II) complex): monoclinic, space group P21/n (no. 14), a = 8.6726(2) Å, b = 20.8824(4) Å, c = 10.3351(2) Å, β = 104.429(2)° and Z = 2. The final R1 was 0.0344 (I > 2σ(I)) and wR2 was 0.0840 (all data). Crystal data for C36H42N4O6PdS2 (PTHT-Pd(II) complex): monoclinic, space group P21/n (no. 14), a = 9.7658(2) Å, b = 10.0488(3) Å, c = 18.7714(4) Å, β = 99.602(2)° and Z = 2. The final R1 was 0.0334 (I > 2σ(I)) and wR2 was 0.0832 (all data). Crystal data for C40H50N4O6PdS2 (PMHC-Pd(II) complex): triclinic, space group P-1 (no. 2), a = 10.2070(9) Å, b = 12.1841(13) Å, c = 16.8879(19) Å, α = 109.005(6)°, β = 90.061(5)°, γ = 99.032(5)° and Z = 2. The final R1 was 0.0822 (I > 2σ(I)) and wR2 was 0.2293 (all data). The single-crystal structure data showed a good agreement with the experimental results. The synthesized complexes were screened for their in vitro antibacterial activity against one Gram-negative (Escherichia coli) and two Gram-positive (Bacillus subtilis and Staphylococcus aureus) bacterial strains and for in vitro antifungal activity against Aspergillus niger, Aspergillus flavus and Aspergillus fumigatus. The PTHC-Pd(II) complex possesses the nearby significant antifungal activity analogous to the standard drug fluconazole against selected fungal strains Aspergillus niger, Aspergillus Flavus and Aspergillus fumigatus as well as the same complex showed the antibacterial activity for Staphylococcus aureus as comparable to standard ofloxacin drug

Synthesis, characterizations, biological activities and docking studies of novel dihydroxy derivatives of natural phenolic monoterpenoids containing azomethine linkage

In the present work, we report the synthesis of six new azomethine linkage containing dihydroxy derivatives of carvacrol, thymol, and eugenol. All the synthesized derivatives have been characterized by spectroscopic techniques and their structures were confirmed by X-ray single crystallography. Synthesized derivatives were screened for anti-oxidant activity using DPPH radical scavenging assay, and anticancer activity by using SRB assay against pancreatic cancer with MIAPaCa-2 and colon cancer with HCT-15 cell lines. The molecular docking studies of all the synthesized derivatives were performed on cyclooxygenases (COX-2) protein enzyme. In the anti-oxidant test, the values of EC50 indicated that all the compounds show excellent anti-oxidant potency, and similarly the GI(50) values in anticancer tests indicated that most of the compounds possess good anticancer efficacy. The overall docking score suggested that all the synthesized compounds exhibit good binding affinity towards cyclooxygenases (COX-2) protein enzyme. GRAPHICS]