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Topic Review
SARS-CoV-2 Main Protease
The main protease (Mpro) of the newly emerged severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was subjected to hyphenated pharmacophoric-based and structural-based virtual screenings using a library of microbial natural products (>24,000 compounds). Subsequent filtering of the resulted hits according to Lipinski’s rules was applied to select only the drug-like molecules. Top-scoring hits were further filtered out depending on their ability to show constant good binding affinities towards the molecular dynamic simulation (MDS)-derived enzyme’s conformers. Final MDS experiments were performed on the ligand-protein complexes to verify their binding modes and calculate their binding free energy. Consequently, a final selection of six compounds of microbial origin was proposed to possess high potential as anti-SARS-CoV-2 drug candidates. Our study provides insight into the role of the Mpro structural flexibility during interactions with the possible inhibitors and sheds light on the structure-based design of anti-coronavirus disease 2019 (COVID-19) therapeutics targeting SARS-CoV-2
  • 1.9K
  • 26 Oct 2020
Topic Review
Food Peptides for the Nutricosmetic Industry
Biopeptides are considered interesting for industrial application since they show numerous functional properties (e.g., anti-aging, antioxidant, anti-inflammatory, and antimicrobial properties) and technological properties (e.g., solubility, emulsifying, and foaming). Moreover, they have fewer side effects than synthetic drugs. Nevertheless, some challenges must be overcome before their administration via the oral route. The gastric, pancreatic, and small intestinal enzymes and acidic stomach conditions can affect their bioavailability and the levels that can reach the site of action. Some delivery systems have been studied to avoid these problems (e.g., microemulsions, liposomes, solid lipid particles). 
  • 1.9K
  • 31 Mar 2023
Topic Review
Antioxidant Compounds Extracted from Plants for Vegetable Oils
Oil oxidation is the main factor limiting vegetable oils’ quality during storage, as it leads to the deterioration of oil’s nutritional quality and gives rise to disagreeable flavors. These changes make fat-containing foods less acceptable to consumers. To deal with this problem and to meet consumer demand for natural foods, vegetable oil fabricators and the food industry are looking for alternatives to synthetic antioxidants to protect oils from oxidation. In this context, natural antioxidant compounds extracted from different parts (leaves, roots, flowers, and seeds) of medicinal and aromatic plants (MAPs) could be used as a promising and sustainable solution to protect consumers’ health. 
  • 1.9K
  • 21 Nov 2022
Topic Review
Bivalent Proximity-Inducing Compounds for Targeted Protein Degradation
Bivalent proximity-inducing compounds represent a novel class of small molecule therapeutics with exciting potential and new challenges. The most prominent examples of such compounds are utilized in targeted protein degradation where E3 ligases are hijacked to recruit a substrate protein to the proteasome via ubiquitination.
  • 1.9K
  • 30 Nov 2022
Topic Review
Use of Kojic Acid in Cosmetics
In 1907, Saito discovered Kojic Acid (KA), a natural product; it has since become one of the most investigated skin-lightening agents. KA inhibits tyrosinase and has been commonly researched in the cosmetic industry. It is incorporated in many kinds of cosmetic products.
  • 1.9K
  • 23 Jun 2022
Topic Review
Plant-Based Indole Alkaloids
Indole (C8H7N) is a weakly basic molecule consisting of a pyrrole ring fused to a benzene nucleus, and ten π electrons move throughout the structure. The basic environment of indole alkaloids is thought to be caused by the delocalization of the lone pair of nitrogen electrons into the free circulation of the π electronic system. This results in indole becoming protonated at the C-3 position, which is thermodynamically more stable.Indole alkaloids have gained popularity due to their diverse pharmacological activities. Indole alkaloids have been identified in several prominent plant families, including Apocynaceae, Rubiaceae, Nyssaceae, and Loganiaceae, among others. Some of the identified indole alkaloid compounds have been highly effective in pre-clinical and clinical studies. Thousands of compounds containing the indole nucleus have been isolated from plant sources. Their pharmacological activities were assessed, with some now being examined in clinical trials and some already approved for therapeutic use in humans. Indole alkaloids are often characterized by their potent biological activities, which are relevant to the field of medicine, including anticancer, antibacterial, antiviral, antimalarial, antifungal, anti-inflammatory, antidepressant, analgesic, hypotensive, anticholinesterase, antiplatelet, antidiarrheal, spasmolytic, antileishmanial, lipid-lowering, antimycobacterial, and antidiabetic activities. 
  • 1.9K
  • 27 Apr 2021
Topic Review
Hyaluronic Acid for Tissue Engineering
Polysaccharides such as hyaluronic acid (HA) which is omnipresent in the human body and exert pleiotropic biological functions such as tissue repair and tissue regeneration, may be exploited for cosmetics development, esthetic medicine, tissue engineering and regenerative medicine. In this work, the authors describe the excellent biocompatibility and biodegradability of HA-derived hydrogels with make them ideal materials for tissue engineering applications.
  • 1.9K
  • 27 May 2021
Topic Review
Cosmetic Science
In June 2020, the long-waited “Regulations on the Supervision and Administration of Cosmetics” (CSAR) was finally issued by the State Council of China, and this regulation will be implemented from 1 January 2021 [1]. CSAR is the first-time revision and replacement of the “Regulations on Hygiene Supervision of Cosmetics” (CHSR), which was published in 1989. During the past 30 years, substantial changes have happened both in the industry and in consumer needs, and the market has increased significantly. According to incomplete statistics, there are more than 1,800,000 valid cosmetic products in China currently in 2020. In addition, new techniques and approaches have appeared, and the concepts of supervision and administration have evolved.
  • 1.9K
  • 27 Dec 2020
Topic Review
Application of Isocyanide-Based Multicomponent Reactions
Multicomponent reactions are a fascinating family of organic chemistry transformations. Traditional bimolecular reactions are outperformed by such reactions, which combine three or more reactants into one reaction product. Multicomponent reactions speed up chemical space exploration by minimizing the quantity of synthesis and refinement steps needed to create a particular target. Isocyanides (isonitriles) were the only stable organic molecules containing a formally divalent carbon atom for a long period of time. The group of isocyanides are distinguishable from other functional groups due to their reactivity.
  • 1.8K
  • 10 May 2023
Topic Review
Monoterpenes as Anticancer Therapeutic Agents
Terpenes—a diverse group of secondary metabolites—constitute the largest class of natural products abundant in almost every plant species.
  • 1.8K
  • 17 May 2021
Topic Review
Tragia L. Genus
Tragia L. is a genus of plants belonging to the Euphorbiaceae family with worldwide intertropical distribution, composed of more than 150 species.
  • 1.8K
  • 16 May 2022
Topic Review
Dapsone Imine Derivatives
Dapsone (DDS) is an antibacterial drug with well-known antioxidant properties. However, the antioxidant behavior of its derivatives has not been well explored. In the present work, the antioxidant activity of 10 dapsone derivatives 4-substituted was determined by an evaluation in two in vitro models (DPPH radical scavenging assay and ferric reducing antioxidant power). These imine derivatives 1–10 were obtained through condensation between DDS and the corresponding aromatic aldehydes 4-substuited. Three derivatives presented better results than DDS in the determination of DPPH (2, 9, and 10). Likewise, we have three compounds with better reducing activity than dapsone (4, 9, and 10). In order to be more insight, the redox process, a conceptual DFT analysis was carried out. Molecular descriptors such as electronic distribution, the total charge accepting/donating capacity (I/A), and the partial charge accepting/donating capacity (ω+/ω−) were calculated to analyze the relative donor-acceptor capacity through employing a donor acceptor map (DAM). The DFT calculation allowed us to establish a relationship between GAPHOMO-LUMO and DAM with the observed antioxidant effects. According to the results, we concluded that compounds 2 and 3 have the lowest Ra values, representing a good antioxidant behavior observed experimentally in DPPH radical capturing. On the other hand, derivatives 4, 9, and 10 display the best reducing capacity activity with the highest ω− and Rd values. Consequently, we propose these compounds as the best antireductants in our DDS imine derivative series.
  • 1.7K
  • 08 Oct 2021
Topic Review
G-Quadruplexes: Emerging Anticancer Roles
G-quadruplexes, a family of (thermodynamically and kinetically stable) tetraplex helices, are non-canonical secondary structures derived from guanine (G)-rich sequences of nucleic acids. G-quadruplexes were found to occur in functionally-important regions of the human genome, including the telomere tandem sequences, several proto-oncogene promoters and other regulatory regions, ribosomal DNA (rDNA), as well as mRNA sequences encoding for proteins with roles in tumorigenesis, thus establishing a clear connection between G-quadruplexes and known hallmarks of cancer. Stabilization of G-quadruplexes belonging to the above categories, by means of small-molecule intervention, has been correlated with a range of anticancer effects, which has led to classifying G-quadruplexes as novel potential targets in anticancer research. The most common ways in which G-quadruplexes are now understood to serve in an anticancer capacity are presented herein.
  • 1.7K
  • 03 Mar 2021
Topic Review
Antagonists of the AT1receptor
Antagonists of the AT1receptor (AT1R) are beneficial molecules that can prevent the peptide hormone angiotensin II from binding and activating the specific receptor causing hypertension in pathological states.
  • 1.7K
  • 06 Jan 2021
Topic Review
Metal-Catalyzed Synthesis of the OSe Compounds
Organoselenium (OSe) compounds have recently gained considerable interest as a potential class of organic motifs due to their outstanding applications in synthetic organic and medicinal chemistry and their possible properties in materials science. These are attributed to the exceptional properties of the selenium (Se) element.
  • 1.7K
  • 02 Jun 2022
Topic Review
Peptidyl Fluoromethyl Ketones
Peptidyl fluoromethyl ketones occupy a pivotal role in the current scenario of synthetic chemistry, thanks to their numerous applications as inhibitors of hydrolytic enzymes. The insertion of one or more fluorine atoms adjacent to a C-terminal ketone moiety greatly modifies the physicochemical properties of the overall substrate, especially by increasing the reactivity of this functionalized carbonyl group toward nucleophiles.
  • 1.7K
  • 27 Oct 2020
Topic Review
Therapeutic Potential of G-quadruplex Structural Junctions
We analyze further extension of G-quadruplexes by additional structural elements and investigate whether junction of G-quadruplex with duplex, hairpin, triplex or second G-quadruplex motif is favorable for aptamers stability and biological activity. Furthermore, we indicate the specific and pivotal role of G-quadruplex domain and the additional structural elements in the interactions with target molecules. Finally, we consider the potency of G-quadruplex junctions in the future applications and indicate the emerging research area that is still waiting for development to obtain highly specific and effective nucleic acid-based molecular tools.
  • 1.7K
  • 15 Oct 2021
Topic Review
Synthesis of Metal Complexes of 2-Thiouracil and Derivatives
The thionamide antithyroid agents were discovered largely through observations carried out by various researchers in the 1940s that found that sulfhydryl-containing substances were goitrogenic in animals. Prof. Edwin B. Astwood started using these drugs to treat hyperthyroidism. The development background of these agents, the coordination possibility of 2-thiouracil and its derivatives are presented herein.
  • 1.6K
  • 12 Apr 2024
Topic Review
Asymmetric Catalytic Ketimine Mannich Reactions
These ketimines are less electrophilic and thus, arguably, more challenging substrates. 3-Aryl-3-hydroxyisoindolin-1-ones are often employed as stable precursors for the corresponding endocyclic N-carbonyl diaryl ketimines. This class of ketimines is useful synthons to access chiral isoindolin-1-ones that are an important motif found in numerous biologically relevant molecules and natural products.
  • 1.6K
  • 05 Aug 2021
Topic Review
Heteronuclear Metal Complexes with Anticancer Activity
Transition metal complexes have been deeply studied for different applications, such as catalysis, antimicrobial, and also antitumoral drugs. Platinum complexes are probably the most well-known and studied in the field of anticancer compounds, also thanks to the omnipresence of cisplatin and its derivatives as a starting point. Two promising new strategies to increase the efficacy of transition metal-based complexes have been described. First, the possibility of assembling two biologically active fragments containing different metal centres into the same molecule were considered, thus obtaining a heterobimetallic complex. Secondly, the conjugation of metal-based complexes to a targeting moiety was discussed.
  • 1.6K
  • 09 Jan 2023
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