Faiçal Hassani

This study characterizes the plant community associated with Agave americana L. in the Béni-Saf region (northwestern Algeria) and evaluates the bioactive potential of its compounds through an in silico approach. Floristic surveys were conducted using the Braun–Blanquet method. The biological spectrum was dominated by therophytes and chamaephytes, reflecting adaptation to Mediterranean climatic constraints. Mediterranean elements constituted the dominant biogeographical group, confirming the Mediterranean character of the study area. Six compounds belonging to steroidal sapogenins, flavonoids, and phenolic acids were selected and docked against cyclooxygenase-2 (COX-2; PDB ID: 5IKR) using AutoDock Vina. Hecogenin exhibited the most favorable binding affinity (−9.1 kcal/mol), followed by kaempferol (−7.1 kcal/mol) and gitogenin (−6.9 kcal/mol). These results highlight both the ecological characteristics of the plant community and the potential interest of A. americana as a source of bioactive compounds. However, these in silico findings require further validation through complementary computational and experimental studies.

This study is based on a ruderal species: Malva subovata = Lavatera maritima which should normally grow in the littoral, under maritime influence. Its presence in the matorrals is highlighted for the first time. as it has been found far from its natural habitat. The comparison of the different biological and morphological spectra shows the importance of the therophytes that confirms the phenomenon of degradation. This degradation shows a depletion of the floristic procession, especially concerning sylvatic species which have given way to ephemeral therophytes and chamæphytes. Despite the presence of a shrubby layer, it is no longer a question of a forest ecosystem but of a pre-forest ecosystem. To better understand the characteristics of this Malvaceae in terms of resistance and adaptation in matorrals, we often use the phytomass of all anthropozoic formations and more specifically the phytomass of the species that characterize this group. In our case, this is Malva subovata. The results of the morphometric study constitute a basic element for the evaluation of the adaptive potential of our Lavatère against the degradation factors.

The objective of this present study is to focus on the in silico study to screen for an alternative drug that can block the activity of the angiotensin converting enzyme 2 (ACE2) as a receptor for SARS-CoV-2, potential therapeutic target of the COVID-19 virus using natural compounds (Isothymol, Thymol, Limonene, P-cymene and γ-terpinene) derived from the essential oil of the antiviral and antimicrobial plant Ammoides verticillata (Desf.) Briq. which is located in the occidental Algeria areas. This study reveals that Isothymol, a major component of this plant, gives the best docking scores, compared to, the co-crystallized inhibitor β-D-mannose of the enzyme ACE2, to Captropil drug as good ACE2 inhibitor and to Chloroquine antiviral drug also involved in other mechanisms as inhibition of ACE2 cellular receptor. In silico (ADME), drug-likeness, PASS & P450 site of metabolism prediction, pharmacophore Mapper showed that the compound Isothymol has give a good tests results compared to the β-D-mannose co-crystallized inhibitor, to Captopril and Chloroquine drugs. Also the other natural compounds gave good results. The Molecular Dynamics Simulation study showed good result for the Isotymol- ACE2 docked complex. This study revealed for the first time that Isothymol is a functional inhibitor of angiotensin converting enzyme 2 activity and the components of essential oils Ammoides verticillata can be used as a potential inhibitors to the ACE2 receptor of SARS-CoV-2.

The chemical composition of 18 oil samples of Santolina africana isolated from aerial parts at full flowering, collected in three locations in eastern Algeria was determined by GC(RI), GC/MS and ¹³C-NMR analysis. The major components were: germacrene D, myrcene, spathulenol, α-bisabolol, β-pinene, 1,8-cineole, cis-chrysanthenol, capillene, santolina alcohol, camphor, terpinen-4-ol and lyratol. The chemical composition appeared homogeneous and characterized by the occurrence of four derivatives which exhibited a conjugated alkene dialkyne moiety. They were identified for the first time in an essential oil from S. africana. The collective oil sample exhibited moderate antimicrobial and antioxidant activities whereas the anti-inflammatory activity presented a real potential. IC₅₀ value of Santolina africana essential oil (0.065 ± 0.004 mg/mL) is 5-fold higher than IC₅₀ value of NDGA used as positive control.