Thorectidiol A Isolated from the Marine Sponge Dactylospongia elegans Disrupts Interactions of the SARS-CoV-2 Spike Receptor Binding Domain with the Host ACE2 Receptor.

Thorectidiols isolated from the marine sponge Dactylospongia elegans (family Thorectidae, order Dictyoceratida) collected in Papua New Guinea are a family of symmetrical and unsymmetrical dimeric biphenyl meroterpenoid stereoisomers presumed to be products of oxidative phenol coupling of a co-occurring racemic monomer, thorectidol (3). One member of the family, thorectidiol A (1), has been isolated in its natural form, and its structure has been elucidated by analysis of NMR, MS, and ECD data. Acetylation of the sponge extract facilitated isolation of additional thorectidiol diacetate stereoisomers and the isolation of the racemic monomer thorectidol acetate (6). Racemic thorectidiol A (1) showed selective inhibition of the SARS-CoV-2 spike receptor binding domain (RBD) interaction with the host ACE2 receptor with an IC50 = 1.0 ± 0.7 µM.

Three new indole diterpenoids from Aspergillus aculeatus KKU-CT2.

Three new indole diterpenoids, aculeatupenes A-C (1-3), together with four known compounds (4-7), were isolated from the mycelium of Aspergillus aculeatus KKU-CT2. Their structures were established by spectroscopic evidence and absolute configurations of 1-3 were determined by comparison of their experimental and calculated ECD spectra. Compounds 1, 2, and emindole SB (4) showed weak cytotoxicity against HelaS3, KB, HepG2, MCF-7, and A549 cancer cell lines with IC50 values in the range of 11.12-67.81 µM. Compound 3 showed weak cytotoxicity against HelaS3 cell lines with an IC50 value of 17.48 µM but non-cytotoxicity against Vero cell line. In addition, compound 1 exhibited weak antibacterial activity against Bacillus cereus.[Formula: see text].

How Long Can A C-C σ-Single Bond Be?

In a specifically designed molecular structure, two sp2-hybridized carbon atoms align their unhybridized 2pz orbitals in the same orientation to form an extremely long C2pz-C2pz σ-single bond that goes beyond 3 Å in length. This new type of C-C σ-bond (coined as a fringe bond) can be made more than 1 Å longer than the current experimental world record (∼1.8 Å) and 300 kJ/mol weaker than the ordinary C-C σ-bond (∼330 kJ/mol). If such molecular monomers are polymerized into infinite chains, the extended long C-C saturated σ-bonding framework manifests band gaps similar to those of some conventional iconic organic-conducting polymers based on conjugated networks of unsaturated bonds.

[Genetic diversity and volatile components of Asarum sieboldii in Qin-ba region].

OBJECTIVE: To analyze the genetic diversity and the volatile components of Asarum sieboldii from seven habitats in Qin-ba region. METHODS: The genetic diversity of the herb was analyzed by ISSR (inter simple sequence repeat) markers; The relative content volatile components of the herb were dectected by head space solid-phase microextraction gas chromatogrphy-mass spectrometry (HS-SPME-GC-MS). The contents of the 3 main components were analyzed by steam distillation gas chromatography-mass spectrometry (GC-MS). RESULTS: 57 bands were amplified from 7 populations by 6 reliable primers, 51 of which were polymorphic (89.47% of the total). The cluster analysis presented that these resources were divided into two main groups. There were differences in the chemical components and the contents of Asarum sieboldii from the 6 wild habitats. Except for some same components, many unique components were identified in them respectively. In addition, some components could be detected only in some populations which had smaller genetic distance. CONCLUSION: Cluster analysis shows no direct correlation between genetic distance and geographic distance of Asarum sieboldii in Qin-ba region. The accumulations of some volatile components of Asarum sieboldii are possibly related to genetic diversity.

[The volatile components of three radix et rhizoma asari].

OBJECTIVE: To analyze and compare the volatile components of Asarum sieboldii Miq, Asarum himalaicum Hook. F. et Thoms and Asarum. debile Franch in the same area. METHODS: The volatile components were extracted from three Radix et Rhizoma Asari by solid-phrase microextraction and their contents were analyzed by gas chromatography-mass spectrometry (GC-MS). RESULTS: 59, 99 and 85 volatile components were identified from Asarum sieboldii Miq, Asarum himalaicum Hook. F. et Thoms and Asarum debile Franch, representing the ralative content of 82.75% - 99.43% of the volatile oil. 16 of same components were identified in the three Radix et Rhizoma Asari, and the contents of the same components were different among them. In addition, some unique components were identified in them respectively. CONCLUSION: There were differences among the chemical components and the contents of the volatile oil of the three Radix et Rhizoma Asari. The results could give certain reference value for the medicine whether Asarum himalaicum Hook. F. et Thoms and Asarum debile Franch can replace Asarum sieboldii Miq.

Cardiac muscle sarcolemma chromatographic stationary phase and its potential application in drug screening.

A new bioactive packing material for liquid chromatography, sarcolemma chromatography stationary phase (SCSP), is presented. Its surface characteristics are investigated, and it is found that the acceptors embedded in sarcolemma remained bioactive for more than a week. The retention behavior of antagonists and activators related to cardiac muscle sarcolemma on the SCSP chromatographic column shows the screening function of the SCSP column, and the retention behavior of the active components in the aether extract from the Chinese herb Ligusticum chuanxiong Hort. on the SCSP column reveals, to a certain extent, the separation function of the SCSP column. These suggest that SCSP is a potentially useful material in drug screening.

[Study on the interactions between Ligusticum chuanxiong extract and cardiac muscle membrane receptors by CMSP chromatography].

OBJECTIVE: To study the interactions between Ligusticum chuanxiong Hort extract and cardiac muscle membrane receptors. METHOD: The cell membrane of rabbit cardiac muscle was fixed on silicon to make cell membrane stationary phase (CMSP), and then the interactions were studied by comparing the retention characteristics of the extracts from different solvents with those of the antagonists or activators corresponding to known receptors in cardiac muscle membrane, and by competition effect on the retention characteristics of extracts when adding the antagonists or activators into the mobile phase. RESULT: Water extract and ethanol extract both had retentions on CMSP; the retention characteristics of water extract could be affected when water extract was in competition with the antagonists for alpha receptor, and could not be affected when with the activator beta1 receptor. CONCLUSION: It is possible that some components in water extract may combine with alpha receptor and no component with beta1 receptor, and that some components in ethanol extract may combine with cardiac muscle cell membrane. The process between active components and receptors in vivo can be imitated through the interactions between drugs and CMSP. The method provides references for the resolution of two applications: to screen the active components from Chinese medicine, and to figure out the type of receptors involved.