Current Organic Synthesis - Online First

Bicyclo[1.1.1]pentanes (BCPs), recognized as bioisosteres for para-disubstituted benzene rings, have gained prominence as valuable bioactive scaffolds in drug research.

This study describes a radical-coupling method for the synthesis of sulfonyl-, cyano-substituted BCPs from sulfonyl cyanide and [1.1.1]propellane. In this study, the synthetic schemes were designed to show the chemical reactions. Nuclear Magnetic Resonance (NMR) and Mass Spectrometry (MS) were used to identify and characterize the final compounds.

This method does not require photocatalysts, metals, or light, generating BCP nitriles as a useful building block. The synthetic potential of this mild protocol was showcased by the diverse transformations.

This versatile method significantly expands the range of BCP-type bioisosteres that can be generated.

L-type amino acid transporter-1 is a drug that stimulates the functions of the brain’s central nervous system. Membrane transporters have evolved, leading to a distinct approach in L-type amino acid transporter-1 drug delivery. One of the transporters used for transporting drugs across biological membranes is the L-type amino acid transporter-1. It is widely discussed in the medicinal field.

Numerous investigations indicate a close connection between the properties of alkanes and the diversity of central nervous system drugs in the brain, specifically log P and molecular weight. One important study that analyzes structural properties is focused on topological descriptors. Recently, topological indices have found application in the development of quantitative structure-activity relationships. These indices are correlated with the physicochemical properties of BCNS-acting drugs and their biological activity.

The study employs significant methods of calculating topological indices: the edge set partition method and the Djokovi´c-Winkler relation (cut method) are utilized to calculate the values of these descriptors.

The results of distance and degree-based topological descriptors have been derived. The strong correlation between topological descriptors and the physicochemical properties of BCNS-acting drugs has been studied.

This article identifies important topological features for various CNS medications, aiming to support researchers in understanding the properties of molecules and their biological activity. Furthermore, we demonstrate how strongly these behaviors correspond to the physicochemical properties of central nervous system drugs.

This study includes synthesis, characterizations, antimicrobial, antioxidant, and docking molecular study of novel Bis-Azetidinone compounds that combined two units of β-lactam rings. In the present investigation, the aromatic aldehydes with primary amine were condensed to create Schiff's base, which was then reacted with chloroacetylchloride to produce bis-Azetidinone compounds.

Melting points, FTIR, and NMR spectrum analyses were used to examine the morphological and topological characteristics of the Bis-Azetidinone compounds. The results indicate that the prepared Compounds synthesis has excellent antimicrobial activity against both Gram-negative (Escherichia coli,), Gram-positive bacteria (Staphylococcus aureus) and fungal (Candida albicans) and also indicated that the Compounds synthesis (A2) gave a higher antimicrobial effect than the B2, C2. The synergistic activity was examined against the pathogenic microbial strains. It was observed that employing compound synthesis combined with antibiotics enhanced the synergistic efficacy compared to using compound synthesis alone or antibiotic alone on Gram-positive bacteria and fungi.

The antioxidant efficiency was assessed by DPPH, the results show that the compound synthesis has antioxidant activity, and also indicated that the synthesized compound (A2) gave a higher antioxidant effect than the B2, C2. Docking study confirmed via redocking of crystalized substrate or inhibitor within target binding pocket. The docking results reveal that the synthesized compounds, with a total binding affinity of less than -48 kcal/mol, could be clinically used for future therapeutic purposes.

The present research demonstrates the advantageous effectiveness of a simpler production procedure, novel Bis-Azetidinone compounds, for producing high-purity with low hazard that may be utilized as future possible medical therapies.

This study aimed to synthesize a series of new 3-(halophenyl)-1-phenyl-1H-pyrazole moieties and survey the antitumor properties of these compounds.

3-(halophenyl)-1-phenyl-1H-pyrazoles (4a-j) were prepared by reaction of phenyl hydrazine (3) with different halogen aromatic aldehydes 1a-j and malononitrile (2) in C2H5OH and piperidine. The reaction took place under microwave irradiation settings for two minutes at140°C.

Three human cancer cell lines were used as in vitro test subjects for compounds 4a - j. Three cell lines from mammals HeLa (a cell line for human cervical cancer), MCF-7 (a cell line for human breast cancer), and PC-3 (a cell line for human prostate cancer), all with 5-fluorouracil as the standard reference drug were used.

A series of novel 3-(halophenyl)-1-phenyl-1H-pyrazoles were synthesized in this work. All substances had their anticancer properties assessed.