Showing papers in "Bioorganic & Medicinal Chemistry in 2022"

TL;DR: In this paper , a review of solubility optimization using structural modification techniques is presented, including synthesis of prodrugs, hydrophilic and ionizable group insertion, addition and removal of hydrogen bonding, bioisosterism, disruption of molecular symmetry and planarity.

TL;DR: In this article , the authors have described various hypothesis for AD and effectiveness of the multi-target directed ligands (MTDLs) treatment strategy is discussed in detail and different chemical scaffolds and their synthetic strategies have been described and important functionalities are identified in the chemical scaffold that have the potential to bind to the multiple targets.

TL;DR: The incorporation of the magic boron atom has been established as an important new strategy in the field of medicinal chemistry as borin compounds have been shown to form various bonds with their biological targets as discussed by the authors .

TL;DR: In this article , the authors provide a brief overview of the different validated targets that are involved in diverse parasite pathways: glycolysis, sterol synthesis, de novo biosynthesis of pyrimidine nucleotides, the degradative processing of peptides and proteins, oxidative stress damage and purine salvage and nucleotide synthesis and metabolism.

TL;DR: In this paper , a review of quinolone and its derivatives with different pharmacological properties like antibacterial, anticancer, anti-HIV, antitubercular and antimalarial activities are described on the basis of their structure activity relationship studies.

TL;DR: In this paper , a series of 1,2,3-triazole benzenesulfonamide substituted 1,3dioxoisoindolin-5-carboxylate (7a-l) inhibitors of human α-carbonic anhydrase (hCA) was designed using a tail approach.

TL;DR: In this paper , the authors investigated the therapeutic effect of 211At-labeled fibroblast activation protein inhibitor (FAPI) for glioma in vitro and in vivo.

TL;DR: In this article , a quantitative structure activity relationship (QSAR) model was developed using a deep neural network and a graph convolutional neural network to model PAMPA pH 5 permeability.

TL;DR: Sophorolipids (SLs) are biosurfactants synthesized as secondary metabolites by nonpathogenic yeasts and other microorganisms, which have the potential to provide low-cost therapeutics as discussed by the authors .

TL;DR: A review of small molecules that have been reported to bind to three-and four-way junctions can be found in this paper , where the authors illustrate the small molecules reported to be able to bound to three and four way junctions.

TL;DR: In this paper , the effects of berberine on endoplasmic reticulum (ER) stress-induced liver injury was studied in mice with or without tunicamycin pre-treatment.

TL;DR: In this article , the pH-and glutathione dual-responsive supramolecular assemblies fabricated by disulfide-containing pillar[4]arene and tetraphenylethylene derivatives possessing different alkyl chains in length were presented.

TL;DR: In this article , fifteen novel and thirty-one unusual thiourea derivatives were synthesized and evaluated in vitro for their antimycobacterial and anti-inflammatory potential and, in silico for ADMET parameters and for structure-activity relationship (SAR).

TL;DR: A comprehensive review of advances in BET-targeting PROTACs can be found in this article , where the bromodomain and extra-terminal (BET) family proteins play a key role in regulating oncogene expression and are considered attractive therapeutic targets for cancer therapy.

TL;DR: Wang et al. as discussed by the authors used a FP-GNN deep learning architecture to predict CDK9 inhibitors with the highest BA and F1 values of 0.681 and 0.912 for testing set.

TL;DR: In this article , a series of novel indolylarylsulfones (IASs) bearing phenylboronic acid and phenyl-boronate ester functionalities at the indole-2-carboxamide as new HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) through structure-based drug design.

TL;DR: In this article , isoxazole-1,2,4-oxadiazole analogs were synthesized using mild bases in ethanol under microwave irradiation, and the anti-HIV potential was checked in human CD4+ reporter cell lines, TZM-bl and CEM-GFP, at the highest non-cytotoxic concentration (HNC).

TL;DR: In this paper , 43 compounds sharing a 2-aminothiophenone-3-carboxylate (ATPC) scaffold, known to activate the ribonuclease L (RNase L), were synthesized and selected ATPCs showed enhancement of thermal stability of RNase L upon binding.

TL;DR: In this article , a review summarizes advances in the development of Wnt antagonists that have been shown to directly bind β-catenin, which is considered a promising strategy for the inactivation of oncogenic Wnt signaling.

TL;DR: Based on SIH 3, a series of 4-methylsulfonylphenyl semicarbazones and evaluated for FAAH and MAGL inhibition properties were designed and synthesized as mentioned in this paper .

TL;DR: In this article , a molecular hybridization strategy is adopted by combining benzopyran and indole pharmacophores together, and a library of structurally simple 1,3,4,9-tetrahydropyrano[3, 4-b]indoles was rapidly constructed.

TL;DR: Wang et al. as discussed by the authors obtained different configurations of hydroxychloroquine side chains by using chiral resolution technique, and successfully furnished R-/S-hydroxychloroquines sulfate through chemical synthesis.

TL;DR: Wang et al. as discussed by the authors showed that the N14 phenyl-substituted evodiamine derivatives had a good inhibitory effect on tumor cells in vitro, providing a promising strategy for developing potential anticancer agents for the treatment of gastrointestinal tumors.

TL;DR: In this article , a short review aims at highlighting recent design strategies hinged on using seven-membered rings and analyses of the different selected examples coupled with torsion profiles derived from the CCDC suggest some of these strategies could have broad applications.

TL;DR: A review of the most challenging tools, photoactivation and bioorthogonal ligation, can be found in this article , where a survey of most recent literature reports is included as well to identify recent trends in the field.

TL;DR: Wang et al. as mentioned in this paper investigated whether resveratrol (Res) can alleviate liver fibrosis through miR-190a-5p /HGF axis and found that Res reduced the apoptosis of hepatocytes and increased HGF levels at the same time.

TL;DR: In this paper , an intelligent and tumor microenvironment (TME)-responsive folic acid (FA) derivatives and mitochondria-targeting berberine (BBR) derivatives co-modified liposome coated with Tween 80 loading paclitaxel (PTX-Tween 80-BBR + FA-Lip) was constructed.

TL;DR: In this paper , the pH-responsive mannose-modified ferrocene MOFs with rare earth metal were synthesized via coordination-driven self-assembly of 1,1'-Ferrocenedicarboxylic acid and ytterbium chloride.

TL;DR: A range of 1-phenyl-benzopyrrolizidin-3-one derivatives were synthesized and evaluated for neuroprotective effects against N-methyl-ᴅ-aspartate (NMDA)-induced injury in PC12 cells as discussed by the authors .

TL;DR: A series of amino acid based 7H-pyrrolo[2,3-d]pyrimidines were designed and synthesized to discern the structure activity relationships against the SARS-CoV-2 nsp3 macrodomain (Mac1), an ADP-ribosylhydrolase that is critical for coronavirus replication and pathogenesis as discussed by the authors .