Showing papers in "Bioorganic & Medicinal Chemistry in 2021"

TL;DR: A review of quinoline-based marketed drugs can be found in this paper, where the authors provide information about the biological activities of these drugs, such as antibacterial, antifungal, antimycobacterial, antiviral, antimalarial, anticancer, cardiovascular, CNS effects, antioxidant, anticonvulsant, analgesic, anti-inflammatory, anthelmintic and miscellaneous activities.

TL;DR: This extensive study meticulously focused on two viral proteases such as main protease and papain-like protease, those are essential for viral replication, and provides a detail overview of the targets from a structural and medicinal chemistry point of view, together with recently reported protease inhibitors.

TL;DR: In this paper, three new series of triazoloquinazoline derivatives were designed, synthesized, and assessed for their anticancer activity against a panel of four human cancer cells.

TL;DR: In this article, the authors present the sources, activities, mechanisms of action and syntheses of bioactive substances based on marine natural products in clinical trials and on the market, which is helpful to understand the progress of drug research by application of marine natural product.

TL;DR: Inhibiting VEGFR-2 has been set up as a therapeutic strategy for treatment of cancer and nineteen new quinazoline-4(3H)-one derivatives were designed and synthesized, finding five compounds to have promising cytotoxic activities against all cell lines.

TL;DR: In this paper, a review of recent advancements in the medicinal chemistry of berberine and its derivatives in the last few years (2016-2020) have been compiled to represent inclusive data associated with various biological activities of this alkaloid.

TL;DR: In this paper, the DNA intercalation activities as anticancer agents were evaluated against the HepG2 and HCT-116 cell lines and the results indicated that these derivatives exhibited higher DNA binding activities than Doxorubicin.

TL;DR: Aurones are naturally occurring structural isomerides of flavones that have diverse bioactivities including antiviral, antibacterial, antifungal, anti-inflammatory, antitumor, antimalarial, antioxidant, neuropharmacological activities and so on.

TL;DR: In this article, a series of kojyl thioether conjugated to different quinazolinone derivatives were designed, synthesized, and evaluated for their inhibitory activity against mushroom tyrosinase.

TL;DR: It has been demonstrated that such macrocyclic compounds may effectively contribute to the inhibition of the growth of colon cancer cells and eventually to their photonecrosis.

TL;DR: The recent advancement of unnatural amino acid chemistry, along with the development of better and more specific electrophilic warheads, has allowed for the application of covalent mechanisms to peptide and protein drugs, and a brief overview of the chemistry makes this advancement possible is provided.

TL;DR: Succinate dehydrogenase inhibitors (SDHIs) have become one of the fastest growing classes of new fungicides since entering the market, and have attracted increasing attention as a result of their unique structure, high activity and broad fungicidal spectrum as mentioned in this paper.

TL;DR: A substantial review of literature illuminating the host factors and molecular mechanisms involved in innate/adaptive responses to viral infection, hijacking of signalling pathways by viruses and the intracellular metabolic pathways required for viral replication is provided in this article.

TL;DR: In this article, the authors applied modern computer-aided techniques to identify promising inhibitors from a well-known chemical class of natural products, including naphthoquinone-based analogs.

TL;DR: The results of the present study indicate that MCC950 effectively inhibits LPS-induced lung inflammation in vivo, which can be considered for clinical translation.

TL;DR: In this article, natural bioactive thymol based 1,2,3-triazole hybrids have been synthesized and evaluated for anticancer activity in MCF-7 and MDA-MB-231 cancer cells.

TL;DR: It is suggested that chalcone-like compounds were good choices for design and development of orally administrated PL inhibitors, while B13 could be served as a promising lead compound to develop novel anti-obesity agents via targeting on PL.

TL;DR: In this paper, a series of novel (S)-Naproxen derivatives bearing hydrazide-hydrazone moiety were designed, synthesized, and evaluated for anticancer activity.

TL;DR: This review highlights the utilization of isoxazoline as insecticide: its mode of action, its commercial preparations and its consideration in the design of novel insecticides.

TL;DR: Theoretical and experimental investigations into the relationship between IC50, time, substrate concentration and Kinact/Ki provided an effective approach to provide meaningful data for SAR optimization and the wide applicability of this method is documented by applying it to other enzymes systems where the covalent inhibitor programs are run.

TL;DR: In this article, the structure-activity relationships of benzo[d]thiazole-based allosteric NS2B/NS3 inhibitors were elucidated and a new series of Y-shaped inhibitors were developed, which, with its larger hydrophobic contact surface, should bind to previously unaddressed regions of the allosterICN binding pocket, thus shifting the selectivity of initially ZIKV-targeting inhibitors to higher activities towards the DENV protease.

TL;DR: In this paper, ammonium derivatives of diterpenoids steviol and isosteviol have been investigated in vitro to investigate the cytotoxic effects of the tested compounds on MCF-7 cells.

TL;DR: In this paper, ten compounds are proposed as potential inhibitors between S1 region in the S-Protein of SARS-CoV-2 with the b1 regions in NRP1, to develop a new adjuvant / complementary drug against COVID-19, and to hinder the interaction between SARS and human cells, with a high probability to be safe in humans, validated by web servers for prediction of ADME and toxicity.

TL;DR: An overview of the latest advances in catalytic drugs can be found in this article, highlighting the expanding toolbox of bioorthogonal activation strategies made possible by transition metals acting as activators or catalysts.

TL;DR: A short review of recent progress in chemistry for selective covalent targeting of proteins and their applications in TCI designs is provided in this article, where a wide array of novel warheads have been devised and tested in TCIs development in recent years.

TL;DR: In this article, a series of vary substituted 2-phenylchromone analogues (1-28) were synthesized and characterized in detail by various spectroscopic techniques (UV-Vis, FTIR, 1H NMR, 13C NMR) and mass spectrometry.

TL;DR: It is indicated that novel guanidine amide of 9j formed hydrogen bonds with crucial residues, which was crucial to the binding of an inhibitor and SDH, which may serve as novel potential fungicides targeting SDH.

TL;DR: In this paper, the replacement of oxazole ring in streptochlorin with the imidazole rings was proposed to discover novel analogues, based on this design strategy, three series of synthesized analogues were efficiently synthesized through sequential Vilsmeier-Haack reaction, Van Leusen imidaziole synthesis and halogenation reaction.

TL;DR: In this article, the authors reported a variety of GS-441524 analogs with modifications on the base or the sugar moiety, as well as some prodrug forms, including five isobutyryl esters, two l-valine esters and one carbamate.

TL;DR: In this paper, the authors reviewed the binding sites and structural characteristics of BTK, structure-activity relationships, activity and drug resistance of the BTK inhibitors, as well as potential treatment strategies to overcome the resistance.