Mohammed Benabdallah

The present work focuses on establishing a green protocol that reduces long‐term energy consumption and enables solvent‐free conditions for the preparation of 2‐aminothiophene‐3‐carbonitrile derivatives and to assess their antimicrobial properties. The strategy is based on an optimized Gewald reaction under microwave irradiation, affording the desired compounds in good yields. The structure of all the synthesized derivatives was confirmed by spectroscopic analyses. Their antimicrobial potential was evaluated using both in vitro and in silico studies against ten different bacterial strains and three fungal species. Remarkably, compounds 1 and 8 exhibited the strongest antibacterial activity with a minimum inhibitory concentration (MIC) of 0.156 mg/mL. Meanwhile, in the antifungal activity, compounds 4 and 6 demonstrated the most significant inhibition zones, with MICs of 0.625 and 0.312 mg/mL, respectively. Molecular docking analyses indicated strong binding affinities for compounds 1 , 3 , 6 , 7 , and 8 with key microbial targets. Furthermore, ADME‐Tox predictions revealed a promising safety profile with no signs of hepatotoxicity. These findings highlight the potential of the synthesized 2‐aminothiophene‐3‐carbonitrile derivatives as effective antimicrobial agents and encourage their further exploration in drug development.

Chemical and biological properties of a novel 1,4-naphtoquinone-chromene derivative synthesised from perillaldehyde, major compound of Ammodaucus leucotrichus essential oil were evaluated. The obtained product was efficiently prepared through a tandem hemisynthesis reaction under environmentally friendly conditions (solvent-free, moderate temperature) via Knoevenagel condensation and Michael addition reactions, using 4-pyrolidinopyridine organobase as a catalyst. The structure of newly synthesised product (HRP63) was characterised using FTIR,¹H,¹³C and 2D NMR spectroscopy. Furthermore, HRP63 was assessed for its antimicrobial activity and its potential interaction with different receptors implicated in psoriasis. The obtained results revealed moderate antibacterial activity. In silico molecular docking studies revealed significant inhibitory interaction of HRP63 against TNF-α, TLR7, TLR2, and TNFR1 receptors with inhibition constants ranging from 0.74 to 0.17 µM, and free binding energies of the complexes obtained between -8.36 and -9.24 kcal/M. These results will guide future studies aimed at exploit the pharmacological profile of HRP63 product.

This study describes a simple, inexpensive, and effective method for the synthesis of new 5‐imino‐7‐aryle‐5H‐thiazolo[3,2‐a]pyrimidine‐3‐carbonitrile derivatives 4a‐e using a green procedure that does not require the use of heat or a base, creating a strategy that meets both economic and environmental demands. Various synthesized products were characterized via diverse techniques such as ¹H‐NMR, infrared (FT‐IR), Mass spectroscopy (MS), and single crystal X‐ray diffraction. Using a fluorescence spectrometer, the 5‐imino‐7‐phenyle‐5H‐thiazolo[3.2‐a]pyrimidine‐3‐carbonitrile 4a has been tested as a potent fluorescent agent in mixture of DMSO/Water at 10⁻⁴ M in one hand, and on the other hand the results of our fluorescence evaluation studies with metal ions (Pb(II), Ba(II), Cd(II), Ni(II), Mn(II), Hg(II), Zn(II), Fe(II), Co(II), Cu(II), La(II), Cr(III), and Fe(III)) have shown that this compound exhibits a turn‐on and turn‐off of the fluorescence to 4a compound with these metals, what forms poor to good interaction by these ions. This result represents the emergence of a new potential ligand for the two heavy cations Cd(II) and Pb(II), which are toxic and polluting, and whose detection is currently of high interest. As well, In the molecular docking evaluation study, it was determined that the 4e molecule has an exceptional ability to inhibit the binding energy of the tubulin protein by −9.13 kcal/mmol, compared to other compounds. The results demonstrate the possibilities for a novel oral medication application.

This current work describes the preparation of MgO‐SBA‐15 catalysts by ultrasonic method, and it is characterized by the different analysis techniques of XRD, BET, SEM, and IRTF. In order to find out an application for this mesoporous material, MgO/SBA‐15 was used as a heterogeneous catalyst in the one‐pot synthesis of pyrano[3,2‐c]chromenes derivatives isolated at room temperature reaction according to green chemistry criteria. To enhance these derivatives, a spectroscopic study of molecular fluorescence properties was carried out as well as an identification analysis by nuclear magnetic resonance and FTIR was used. Furthermore, biological activity experiment is also carried out, from where the obtained test results were satisfactory forAC09,AC05, andAC10compounds and they are checked after computation by molecular modeling.

The present review deals with the progress in medicinal chemistry of spirocyclic compounds, a wider class of natural and synthetic organic molecules, defined as a hybrid of two molecular entities covalently linked via a unique tetrahedral carbon. This spiro central carbon confers to the molecules a tridimensional structurally oriented framework, which is found in many medicinally relevant compounds, a well-known example is the antihypertensive spironolactone. Various bioactive natural products possess the privileged spiro linkage and different chemo-types thereof become synthetically accessible since the 20th century. Actually, there has been a growing interest in the synthesis of heterocyclic hybrids gathered via a spiro carbon. Most of these combinations are two moieties in one scaffold being able to interfere with biological systems through sequential mechanisms. Spirocyclic hybrids containing indole or oxindole units are compounds exhibiting higher interaction with biological receptors by protein inhibition or enzymatic pathways and their recognition as promising anticancer agents in targeted chemotherapy is foreseen. These specific, low-weight and noncomplex spirocyclic hybrids are potent inhibitors of SIRT1, Mdm2–p53 and PLK4, showing affinity for anaplastic lymphoma kinase (ALK) receptor. They are also known as excellent DNA binders, acting on cellular division by arresting the cell cycle at different phases and inducing apoptotic cell death. A structural diversity of spirocyclic hybrids has proved neuroprotective effects, anti-HIV, antiviral and antibacterial activities. Hundred of papers are mentioned in this review underlying chemical issues and pharmacological potencies of spiro compounds, which render them impressive synthetic hits for innovative drug conception.

Lawsonia inermis Linn. (Lythraceae) or henna has been used since the earliest times as a medicine, preservative, and cosmetic. It has long been recommended in traditional medicine as an astringent, purgative, and abortifacient. Lawsone and six extracts of L. inermis plant, used by Algerian traditional healers to treat infectious diseases, were screened for their antifungal activity against filamentous fungi. Water and five organic extracts - DMSO, ethanol, chloroform, ethyl acetate, and di-ethyl ether - of L. inermis leaves, collected in the area of Adrar (Algeria), were prepared by soaking 25 g of powdered plant in 100 mL of solvent. The extracts were screened for antifungal activity using the poisoned food technique against five filamentous fungi. Results demonstrated that the best yield (8.03%) was obtained with the ethanol extract. The commercial lawsone showed potentially interesting MICs against the strains Fusarium oxysporum (12 µg/mL) and Aspergillus flavus (50 µg/mL). The ethanol extract showed the only interesting MIC (230 µg/mL of crude extract) against the strain F. oxysporum compared with other extracts. These results suggest that the Algerian L. inermis plant has antifungal activity that can be related to the presence of lawsone in the leaves plant. The results can be exploited largely in research of new antifungal drugs.

A series of new 2-(3-hydroxy-4-oxo-4H-naphthalen-1-ylidene) acetonitriles was prepared by the cascade Michael addition-elimination reaction of sodium 1,2-naphthoquinone-4-sulfonate with various substituted acetonitriles compounds in ethanol-water in presence of basic catalyst.