A Comprehensive In Silico Study of New Metabolites from with SARS-CoV-2 Inhibitory Activity.

Chemical investigation of the total extract of the Egyptian soft coral , led to the isolation of eight compounds, including two new metabolites, sesquiterpene fusceterpene A () and a sterol fuscesterol A (), along with six known compounds. The structures of - were elucidated via intensive studies of their 1D, 2D-NMR, and HR-MS analyses, as well as a comparison of their spectral data with those mentioned in the literature. Subsequent comprehensive in-silico-based investigations against almost all viral proteins, including those of the new variants, e.

Chemical Review of Gorgostane-Type Steroids Isolated from Marine Organisms and Their C-NMR Spectroscopic Data Characteristics.

Gorgostane steroids are isolated from marine organisms and consist of 30 carbon atoms with a characteristic cyclopropane moiety. From the pioneering results to the end of 2021, isolation, biosynthesis, and structural elucidation using C-NMR will be used. Overall, 75 compounds are categorized into five major groups: gorgost-5-ene, 5,6-epoxygorgostane, 5,6-dihydroxygorgostane, 9,11-secogorgostane, and 23-demethylgorgostane, in addition to miscellaneous gorgostane.

Phytochemical and in silico studies for potential constituents from as candidates against the SARS-CoV-2 main protease and RNA-dependent RNA polymerase.

In the present study, a new secoiridoid glycoside lisianthoside II , along with seven known compounds were isolated from L. In-silico molecular docking and molecular dynamic simulation against SARS-CoV-2 Main protease (M) and RNA-dependent RNA polymerase (RdRp) were conducted. The affinity docking scores revealed that is the best bound ligand to M active site with binding energy of -14.

: isolation of bioactive secondary metabolites with cytotoxic activity toward human cervical cancer.

In our promising project toward discovery of secondary metabolites with potential anticancer activity against human cervical cancer, seven marine organisms were screened for their cytotoxic activity against HeLa cancer cell line using MTT colorimetric assay. The crude extract of the outer shell of showed promising activity with 88.02% inhibition at a concentration 250 µg/ml.

trachylobane-3-hydroperoxide, a new diterpene from the root bark of (Fam.; Euphorbiaceae).

New trachylobane-3-hydroperoxide together with four known compounds, ricinine , trimethoxy ellagic acid , dimethoxy ellagic acid and aleurotolic acid were isolated from the methylene chloride fraction of the root bark of . The structures of these secondary metabolites were elucidated by using different spectroscopic techniques, H NMR, C NMR, HSQC, HMBC, H-H COSY, NOESY, HR-ESI-MS, EI-MS and comparison with published data. trachylobane-3-hydroperoxide showed moderate cytotoxic activity by MTT assay method against human breast cancer cells (MCF-7) and human hepatocyte-derived carcinoma cells (Huh-7) with IC values of 24.

Two new polyhydroxylated steroids from Egyptian soft coral (Fam.; Xeniidae).

Two new polyhydroxylated steroids, 3-acetoxy-gorgost-5,6,11-triol and (23 R) methylergosta-20-ene-3,5,6,17-tetrol , together with three known gorgosteroid compounds, gorgost-3, 5,6,11- tetrol , 11-acetoxy-gorgost- 3,5, 6- triol , and gorgost-5 () ene-3--ol , as well as batyl alcohol , were isolated from the Egyptian soft coral . The structures of these compounds were elucidated based on NMR spectroscopic analyses, HR-FAB-MS, and comparisons with published data. The cytotoxic activities of the fractions and compounds were evaluated against MCF-7 cancer cell lines using MTT colorimetric assay.

Mangostanaxanthone VIII, a new xanthone from Garcinia mangostana and its cytotoxic activity.

A new prenylated xanthone, mangostanaxanthone VIII (7) and six known metabolites: gartanin (1), 1,3,8-trihydroxy-2-(3-methyl-2-butenyl)-4-(3-hydroxy-3-methylbutanoyl)-xanthone (2), rubraxanthone (3), 1,3,6,7-tetrahydroxy-8-prenylxanthone (4), garcinone C (5), and xanthone I (9-hydroxycalabaxanthone) (6) were separated from the EtOAc-soluble fraction of the air-dried pericarps of Garcinia mangostana (Clusiaceae). Their structures have been verified on the basis of spectroscopic data analysis as well as comparison with the literature. The cytotoxic activity of 7 was assessed against MCF7, A549, and HCT116 cell lines using sulforhodamine B (SRB) assay.

Forsskamide, a new ceramide from aerial parts of Forsskaolea tenacissima Linn.

Although the various folk medicine uses and the biological activity of Forsskaolea tenacissima L., few chemical constituents of this plant have been reported, this provoked us to make our study. Forsskamide, a new ceramide was isolated from aerial parts of F.

Effect of polyphenols from Vicia faba L on lipase activity and melanogenesis.

Two new flavonoid glycosides, kaempferol 3-O-α-L-rhamnopyranosyl (1→6) (3''-acetyl)-β-D-galactopyranoside 1 and kaempferol 3-O-α-L-arabinopyranosyl-5-O-α-L-rhamnopyranoside 2, along with six known ones 3-8 were isolated from the flowers of Vicia faba L. (Fabaceae). Methanol extract and the isolated compounds were tested against lipase and melanogenesis inhibition activities and resulted in that compound 2 showed 53 and 77% lipase inhibition activity in concentrations of 400 and 800 μg/mL, respectively.

Xanthone and lignan glycosides from the aerial parts of Polygonum bellardii all growing in Egypt.

A new long chain fatty alcohol acetate identified as 17-hydroxypentacosanyl acetate, (1) together with a new xanthone identified as 1,8-Dihydroxy-3,6-dimethoxy-xanthone-5-O-[α-L-rhamnopyranosyl-(1''→2')]-β-D-glucopyranoside (3), as well as two new lignans identified as (+)-Lyoniresinol-3a-O-[α-L-rhamnopyranosyl-(1'''→6'')]-β-D-glucopyranoside (4) and (+)-Isolariciresinol-3a-O-[α-L-rhamnopyranosyl-(1'''→2'')-α-L-rhamnopyranosyl-(1''''→6'')]-β-D-glucopyranoside (5), in addition to β-sitosterol-3-O-acetate (2) were isolated from the methanolic extract of the aerial parts of Polygonum bellardii growing in Egypt. Their structures were elucidated on the basis of different chemical and spectroscopic evidences. The total extract and its fractions, in addition to compounds (3, 4 and 5) showed significant antioxidant potential by DPPH(·) scavenging activity technique.

Polyphenols from aerial parts of Polygonum bellardii and their biological activities.

Context: Polygonum species have been used in the treatment of several types of inflammatory disorders and cancer. Nevertheless, there are no reports related to the anti-inflammatory and anti-proliferative activities of Polygonum bellardii All. (Polygonaceae).

Two new acetylated flavonoid glycosides from Centaurium spicatum L.

Two new acetylated flavonol glycosides, quercetin 3-O-[(2,4-diacetyl-α-L-rhamnopyranosyl)-(1→6)]-2,4-diacetyl-β-D-galactopyranoside (1) and quercetin 3-O-[(2,4-diacetyl-α-L-rhamnopyranosyl)-(1→6)]-3,4-diacetyl-β-D-galactopyranoside (2), in addition to two known acetylated quercetin glycosides quercetin 3-O-[(2,3,4-triacetyl-α-L-rhamnopyranosyl)-(1→6)-β-D-galactopyranoside (3) and quercetin 3-O-[(2,3,4-triacetyl-α-L-rhamnopyranosyl)-(1→6)-3-acetyl-β-D-galactopyranoside (4), were isolated from the aerial part of Centaurium spicatum (L.) Fritsch (Gentianaceae). Structure elucidation, especially the localization of the acetyl groups, and complete (1)H and (13)C NMR assignments of these biologically active compounds were carried out using one- and two-dimensional NMR measurements, including (1)H- and (13)C-NMR, DEPT-135, H-H COSY, HMQC and HMBC, in addition to HR-FAB/MS experiments.

Cyclodextrin-enclosed substances of Brazilian propolis.

By using beta-cyclodextrin-inclusion as a unique technique, an efficient separation of pharmacologically active phenolic compounds from Brazilian propolis was achieved to provide one new compound, 3-(3-hydroxy-3-methyl-butyl)-5-prenyl-4-hydroxycinnamic acid, together with two common cinnamic acid derivatives, artepillin C and capillartemisin A, and two known flavanols, aromadendrin and 3,5,7-trihydroxy-4'-methoxyflavanol.

New steroidal glycosides from the fruits of Solanum anguivi.

Four new steroidal saponins, anguiviosides III (1), XI (2), XV (3), and XVI (4), were isolated and characterized from the fruits of Solanum anguivi. Their structures were elucidated on the basis of spectroscopic analysis. The occurrence of the cholestane glycosides 3 and 4 is considered from a biogenetic point of view.

Two novel long-chain alkanoic acid esters of lupeol from alecrim-propolis.

Two new long-chain alkanoic acid esters of lupeol were isolated together with known triterpenoids, alpha-amyrin, beta-amyrin, cycloartenol, lanosta-7,24-diene-3beta-ol and lupeol from Alecrim-propolis collected in Brazil. The structures were characterized by spectroscopic means.