nan Imtiaz-ud-Din

Synthesis of 3-ferrocenylaniline: DNA interaction, antibacterial, and antifungal activity

Bioactive 3-ferrocenylaniline [(η5-C5H4)2Fe{C6H5NH2}] has been successfully synthesized and characterized by means of various physico-analytical techniques such as FTIR and multinuclear (1H and 13C) NMR spectroscopy along with melting point and elemental analysis. The interaction of the 3-ferrocenylaniline with DNA has been investigated by spectroscopic and viscometric measurements. The interaction of compound with DNA is presumably occurring via hydrogen bonding. Viscosity measurement of the compound has proved to change in length and is regarded as the least ambiguous and the most critical test of binding model in solution. The antibacterial activity was carried out using Gram-positive bacteria (Staphylococcus aureus, Micrococcus luteus) and Gram-negative bacteria (Escherichia coli, Klebsiella pneumoniae) and found to be selective and effective against Gram-positive bacteria. In vitro antifungal activity was determined against the fungal species (Aspergillus niger and Aspergillus flavus) and demonstrated significant activity.Graphical AbstractCompound 1 was synthesized from ferrocene and 3-nitroaniline in the presence of sodium nitrite/hydrochloric acid and the resulting product was reduced to 3-ferrocenyl aniline. The compound was characterized by IR, multinuclear (1H and 13C) NMR, and elemental analysis. DNA interaction studies were examined by spectroscopic and viscosity measurements. Antibacterial and antifungal activities are also tested.

A one-pot multicomponent facile synthesis of dihydropyrimidin-2(1H)-thione derivatives using triphenylgermane as a catalyst and its binding pattern validation

A series of substituted dihydropyrimidin-2(1H)-thione derivatives (1–8) have been synthesized using a facile and modified procedure with triphenylgermyl propionate as a catalyst. In comparison with the classical Biginelli reaction, this new protocol has the advantages of excellent yield and shorter reaction times. The synthesized compounds have been characterized by various spectroscopic techniques such as FT-IR, multinuclear (1H/13C) NMR spectroscopy and single crystal XRD analysis. Molecular docking studies were performed to identify the probable binding modes of potent inhibitors in the active site of the enzymes human topoisomerase II alpha (4FM9) and Helicobacter pylori urease (1E9Y). Compound 3 was found to be the most potent inhibitor according to the molecular docking scores and molecular dynamic simulations which suggests it can be further processed as a lead molecule to interpret the pharmacological properties of these compounds.

Novel approaches to screening guanidine derivatives

Introduction: Compounds containing guanidine moiety, originating both from natural and synthetic sources, have found potential applications in both synthetic and medicinal chemistry. Indeed, guanidine functionality can be found in many natural and pharmaceutical products as well as in cosmetic ingredients produced by synthetic methods. Areas covered: This review covers the latest developments in the research undertaken for the therapeutic application of newly synthesized guanidine derivatives including: small peptides and peptidomimetics. This article encompasses the selected literature published in the last three decades with a focus on the novel approaches for screening of lead drug candidates with their pharmacological action. Expert opinion: Guanidines, as they are both organically based and also hydrophilic in nature, have undergone a mammoth amount of screening and testing to discover promising lead structures with a CN3 core, appropriate for potential future drug development. The compounds have the potential to be neurodegenerative therapeutic options, as well as: anti-inflammatory, anti-protozoal, anti-HIV, chemotherapeutic, anti-diabetic agents and so on. It is true that guanidine-based compounds of natural sources also, like synthetic and virtually designed drugs, have been of significant interest and have the potential to be useful therapeutic options in the future. As for now, however, there is not sufficient data to support their use in a number of the suggested areas, and further studies are required.

1-Benzoyl-3-(2,4,5-trichloro­phen­yl)thio­urea

The benzene and phenyl rings in the title compound, C14H9Cl3N2OS, form a dihedral angle of 40.98 (6)°. The molecule exists in the thione form with typical thiourea C—S [1.666 (2) Å] and C—O [1.227 (3) Å] bond lengths as well as shortened C—N bonds [1.345 (3) and 1.386 (2) Å]. An intramolecular N—H⋯O hydrogen bond stabilizes the molecular conformation. In the crystal, pairs of N—H⋯S hydrogen bonds link the molecules into centrosymmetric dimers.

Lower homologues (methyl, ethyl) of diorganotin derivatives of germyl (substituted) propanoic acids: spectroscopic elucidations and biological studies

Some novel lower homologues of diorganotin derivatives of germyl substituted propanoic acids with general formula [Ar3GeCH(R1)CH(R2)COO]2 , where Ar = p-CH3C6H4, C6H5, R1 = p-CH3C6H4, p-CH3OC6H4, o-CH3OC6H4, C6H5, R2 = H, CH3, R3 = CH3, C2H5 have been prepared by the condensation reaction of dialkyltin oxide and triarylgermyl(substituted) propanoic acid in 1 : 2 M ratio, respectively, and were characterized by IR, multinuclear (1H, 13C, 119Sn) NMR, 119mSn Mössbauer spectroscopy. The synthesized compounds were also screened for their toxicity and possible antibacterial, antifungal activities and found some encouraging results.

Structure of bis(3-tri-p-methylphenyl-2-methyl-3-phenylgermyl propionato)dibutyltin(IV) [(p-MeC6H4)(3)GeCH(Ph)CH(Me)CO2](2)SnBu2

The structure consists of a monomer with a predominantly four-coordinated tin atom surrounded by two oxygens and two butyl groups. The butyl groups show severe disorder and only the alpha-carbons are shown in the figure. Additional weak interactions with O(2) and O(4) give rise to an opening of the

Germatranyl Substituted Organotin (IV) Carboxylates: Synthesis Spectroscopic Characterization and Biological Activities

Eight new organotin (IV) derivatives of general formula [N(CH2CH2O)3GeCH(R1)CH2COO](4-n)SnR(2)n, where n= 2, R(2) = C2H5 (1-5); R(1) = CH3 (1); C6H5 (2); p-CH3C6H4 (3); p-FC6H4(4); p-CH3OC6H4 (5) and n = 3, R(2) = CH2C6H5 (6-8), R(1) = CH3 (6); C6H5 (7); p-CH3C6H4 (8) have been synthesized by the reaction of di- or tri-organotin chloride with the corresponding germatranyl (substituted) propionic acid in the appropriate mole ratios using triethylamine as a base. The synthesized compounds were characterized by various spectroscopic techniques such as IR, multi-nuclear (1H, 13C, 119Sn) NMR, 119mSn Mössbauer, along with elemental analyses. They were also screened for in vitro anti-leishmanial activity against promastigotes of leishmania donovani and found some encouraging results.

Some triarylgermyl substituted chiral triphenyltin derivatives : Their synthesis, characterization and X-ray crystal structure

Some chiral triphenyltin complexes (1-4) derived from triarylgermyl(substituted)-propenoic acids (I-D) have been prepared. They were characterized by IR, mass spectrometry and multinuclear (H-1, C-13, Sn-119) NMR spectroscopic techniques and their chirality was established on the basis of H-1 NMR data and specific rotation values. X-Ray structure of the synthesized ligand, I-D3, (m-CH3C6H4)(3)GeCH(C6H5)CH2COOH, depicts chiral and prochiral carbons explicitly and described tetrahedral geometry around the germanium atom.

1-Benzoyl-3-(4-n-butyl-phen-yl)thio-urea.

The dihedral angle between the benzoyl and phenyl groups in the title compound, C18H20N2OS, is 30.57 (4)°. The crystal packing is characterized by N—H⋯O hydrogen bonds. In the crysta, pairs of N—H⋯S hydrogen bonds link the molecules into inversion dimers

2-[2-(1,3-Dioxoisoindolin-2-yl)acetamido]-acetic acid.

The title molecule, C12H10N2O5, is non-planar with dihedral angles of 89.08 (7) and 83.21 (7)° between the phthalimide and acetamide mean planes, and the acetamide and acetic acid mean planes, respectively. In the crystal, symmetry-related molecules are linked via N—H⋯O and O—H⋯O hydrogen bonds, forming an undulating two-dimensional network. There are also a number of weak C—H⋯O interactions, leading to the formation of a three-dimensional arrangement.