AmAT19, an acetyltransferase fromAstragalus membranaceus, catalyses specific 6α-OH acetylation for tetracyclic triterpenes and steroids DOI
Linlin Wang, Kuan Chen, Zilong Wang

et al.

Organic & Biomolecular Chemistry, Journal Year: 2021, Volume and Issue: 19(33), P. 7186 - 7189

Published: Jan. 1, 2021

AmAT19 could catalyze the specific 6 α -OH acetylation of tetracyclic triterpenes and steroids to improve their inhibitory activity against 3CL pro SARS-CoV-2.

Language: Английский

Marine natural products DOI
Anthony R. Carroll, Brent R. Copp, Rohan A. Davis

et al.

Natural Product Reports, Journal Year: 2022, Volume and Issue: 39(6), P. 1122 - 1171

Published: Jan. 1, 2022

A comprehensive review of 1407 new MNPs including turbinmicin, a potent antifungal lead isolated from marine bacterium.

Language: Английский

Citations

219

Analeptic activity of 2-Hydroxyl-5-Nitrobenzaldehyde: Experimental, DFT studies, and in silico molecular docking approach DOI Creative Commons
Faith S. Patrick-Inezi, Wilfred Emori, Hitler Louis

et al.

Healthcare Analytics, Journal Year: 2022, Volume and Issue: 2, P. 100030 - 100030

Published: Feb. 5, 2022

This study was carried out to evaluate the spectroscopic, molecular properties, and in silico biological assessment of 2-Hydroxyl-5-Nitrobenzaldehyde (NSA) characterized by FT-IR, UV, NMR spectral, first-principle density functional theory (DFT). The optimized geometry, vibrational wavenumbers, infrared intensities activities were calculated using (DFT) B3LYP method with a 6–311++G(d,p) basis set. detailed interpretation spectra assigned VEDA program. results NBO analysis show that LP(3)O12 LP(2)O13 bonding orbitals participated as donors π*N10–O11 π*C2–C3 antibonding acceptors all four phases understudy occupancies range 1.45453, 1.85287 leading stabilization energy 160.60 and, 30.55 kcal/mol, which intramolecular charge transfer molecule. Moreover, Drug likeness properties NSA are predicted. predicted ADMET showed high gastrointestinal absorption, does not permeant brain–blood barrier, nor any Cytochrome P450 inhibition (1A2, 2C19, 2C9, 2DA, 3A4, 3A4) without violating Lipinski rules. result from docking has highest negative mean binding affinity −5.71 followed CFN EDE approximately equal at −5.176 −5.004 kcal/mol respectively added more significant hydrogen bond amino acids residues selected receptor proteins. Therefore, it could be said is potential analeptic agent.

Language: Английский

Citations

37

Biological Activity and Structural Diversity of Steroids Containing Aromatic Rings, Phosphate Groups, or Halogen Atoms DOI Creative Commons
Valery M. Dembitsky

Molecules, Journal Year: 2023, Volume and Issue: 28(14), P. 5549 - 5549

Published: July 20, 2023

This review delves into the investigation of biological activity and structural diversity steroids related isoprenoid lipids. The study encompasses various natural compounds, such as with aromatic ring(s), steroid phosphate esters derived from marine invertebrates, incorporating halogen atoms (I, Br, or Cl). These compounds are either produced by fungi fungal endophytes found in extracts plants, algae, invertebrates. To assess these an extensive examination referenced literature sources was conducted. evaluation encompassed vivo vitro studies, well utilization QSAR method. Numerous exhibited notable properties strong anti-inflammatory, anti-neoplastic, anti-proliferative, anti-hypercholesterolemic, anti-Parkinsonian, diuretic, anti-eczematic, anti-psoriatic, other activities. Throughout review, 3D graphs illustrating individual presented alongside images selected terrestrial organisms. Additionally, provides explanations for specific types associated compounds. data this hold scientific interest academic science practical implications fields pharmacology medicine. analysis lipids valuable insights that can contribute to advancements both theoretical understanding applied research.

Language: Английский

Citations

20

In Silico Prediction of Steroids and Triterpenoids as Potential Regulators of Lipid Metabolism DOI Creative Commons
Valery M. Dembitsky

Marine Drugs, Journal Year: 2021, Volume and Issue: 19(11), P. 650 - 650

Published: Nov. 22, 2021

This review focuses on a rare group of steroids and triterpenoids that share common properties as regulators lipid metabolism. compounds is divided by the type chemical structure, they represent: aromatic steroids, steroid phosphate esters, highly oxygenated such endoperoxides hydroperoxides, α,β-epoxy secosteroids. In addition, subgroups carbon-bridged neo miscellaneous well synthetic containing heteroatoms S (

Language: Английский

Citations

30

Structural diversity of bioactive steroid compounds isolated from soft corals in the period 2015–2020 DOI
Marina P. Savić, Marija N. Sakač, Ivana Kuzminac

et al.

The Journal of Steroid Biochemistry and Molecular Biology, Journal Year: 2022, Volume and Issue: 218, P. 106061 - 106061

Published: Jan. 11, 2022

Language: Английский

Citations

22

Spectral analysis (FT-IR, FT-Raman, UV and NMR), molecular docking, ADMET properties and computational studies: 2-Hydroxy-5-nitrobenzaldehyde DOI
K. Nagarajan,

N. Surumbarkuzhali,

K. Parimala

et al.

Journal of the Indian Chemical Society, Journal Year: 2023, Volume and Issue: 100(3), P. 100927 - 100927

Published: Feb. 3, 2023

Language: Английский

Citations

12

Coral Lipids DOI Creative Commons
Andrey B. Imbs, Valery M. Dembitsky

Marine Drugs, Journal Year: 2023, Volume and Issue: 21(10), P. 539 - 539

Published: Oct. 15, 2023

Reef-building corals, recognized as cornerstone species in marine ecosystems, captivate with their unique duality both symbiotic partners and autotrophic entities. Beyond ecological prominence, these corals produce a diverse array of secondary metabolites, many which are poised to revolutionize the domains pharmacology medicine. This exhaustive review delves deeply into multifaceted world coral-derived lipids, highlighting ubiquitous rare forms. Within this spectrum, we navigate through myriad fatty acids acyl derivatives, encompassing waxes, sterol esters, triacylglycerols, mono-akyl-diacylglycerols, an polar lipids such betaine glycolipids, sphingolipids, phospholipids, phosphonolipids. We offer comprehensive exploration intricate biochemical variety related acids, prostaglandins, cyclic acyclic oxilipins. Additionally, provides insights chemotaxonomy compounds, illuminating acid synthesis routes inherent corals. Of particular interest is bond coral nurture dinoflagellates from Symbiodinium group; lipid profiles also detailed discourse. accentuates vast potential intricacy underscores profound relevance scientific endeavors.

Language: Английский

Citations

12

Sulfated and Sulfur-Containing Steroids and Their Pharmacological Profile DOI Creative Commons

Tatyana A. Pounina,

Tatyana A. Gloriozova,

Nick Savidov

et al.

Marine Drugs, Journal Year: 2021, Volume and Issue: 19(5), P. 240 - 240

Published: April 24, 2021

The review focuses on sulfated steroids that have been isolated from seaweeds, marine sponges, soft corals, ascidians, starfish, and other invertebrates. Sulfur-containing triterpenoids are sourced sedentary coelenterates, plants, sediments, crude oil, geological deposits. presents the pharmacological profile of steroids, sulfur-containing triterpenoids, which is based data obtained using PASS program. In addition, several semi-synthetic synthetic epithio represent a rare group bioactive lipids not yet found in nature, but possess high level antitumor activity, were included this for comparative characterization class compounds. About 140 presented review, demonstrate wide range biological activities. Therefore, out 71 thirteen show strong activity with confidence more than 90%, 50 only four 93%, eighteen 91% to 97.4%.

Language: Английский

Citations

24

Natural Polyether Ionophores and Their Pharmacological Profile DOI Creative Commons
Valery M. Dembitsky

Marine Drugs, Journal Year: 2022, Volume and Issue: 20(5), P. 292 - 292

Published: April 26, 2022

This review is devoted to the study of biological activity polyether ionophores produced by bacteria, unicellular marine algae, red seaweeds, sponges, and coelenterates. Biological activities have been studied experimentally in various laboratories, as well data obtained using QSAR (Quantitative Structure–Activity Relationships) algorithms. According obtained, it was shown that toxins exhibit strong antibacterial, antimicrobial, antifungal, antitumor, other activities. Along with this, found natural such properties antiparasitic, antiprotozoal, cytostatic, anti-mycoplasmal, antieczema In addition, polyethers be potential regulators lipid metabolism or inhibitors DNA synthesis. Further mechanisms action search for new their derivatives may provide more effective therapeutic treatment cancer diseases. For some ionophores, 3D graphs are presented, which demonstrate predicted calculated The presented this will interest pharmacologists, chemists, practical medicine, pharmaceutical industry.

Language: Английский

Citations

16

Towards Sustainable Medicinal Resources through Marine Soft Coral Aquaculture: Insights into the Chemical Diversity and the Biological Potential DOI Creative Commons

Ngoc Bao An Nguyen,

Lo-Yun Chen, Mohamed El‐Shazly

et al.

Marine Drugs, Journal Year: 2022, Volume and Issue: 20(10), P. 640 - 640

Published: Oct. 14, 2022

In recent decades, aquaculture techniques for soft corals have made remarkable progress in terms of conditions and productivity. Researchers been able to obtain larger quantities corals, thus biologically active metabolites, allowing them study their biological activity many pharmacological assays even produce sufficient clinical trials. this review, we summarize 201 secondary metabolites that identified from cultured the era 2002 September 2022. Various types diterpenes (eunicellins, cembranes, spatanes, norcembranes, briaranes, aquarianes), as well biscembranes, sterols, quinones were discovered subjected bioactivity investigations 53 different studies. We also introduce a more in-depth discussion potential effects (anti-cancer, anti-inflammatory, anti-microbial) mechanisms action metabolites. hope review will shed light on untapped applications valuable tackle current emerging health conditions.

Language: Английский

Citations

15