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Withanolides from dietary tomatillo suppress HT1080 cancer cell growth by targeting mutant IDH1

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 36 ()

Isocitrate dehydrogenase (IDH) is one key rate-limiting enzyme in the tricarboxylic acid cycle, which is related to various cancers. Tomatillo (Physal......

Discovery of novel pyrimidine molecules containing boronic acid as VCP/p97 Inhibitors

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 38 ()

Valine-containing protein (VCP) is a member of the adenosine triphosphate family involved in a variety of cellular activities. VCP/p97 is capable of m......

Ximaoglaucumins A-F, new cembranoids with anti-inflammatory activities from the South China Sea soft coral Sarcophyton glaucum

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 38 ()

Six new cembrane-type diterpenoids, namely ximaoglaucumins A-F (1?6), along with fifteen known related ones (7?10 and 14?24), have been isolated from ......

An affinity prediction approach for the ligand of E3 ligase Cbl-b and an insight into substrate binding pattern

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 38 ()

Protein-protein interactions (PPIs) are essentially fundamental to all cellular processes, so that developing small molecule inhibitors of PPIs have g......

Discovery of 3,5-dimethylisoxazole derivatives as novel, potent inhibitors for bromodomain and extraterminal domain (BET) family

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 39 ()

Bromodomain and extra-terminal (BET) is a promising therapeutic target for various hematologic cancers. We used the BRD4 inhibitor compound 13 as a le......

A gemcitabine-based conjugate with enhanced antitumor efficacy by suppressing HIF-1 alpha expression under hypoxia

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 41 ()

Hypoxia is one of the unique features of tumor physiology. Hypoxia inducible factor (HIF-1 alpha), as a major transcription factor in response to hypo......

A CDR-based approach to generate covalent inhibitory antibody for human rhinovirus protease

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 42 ()

Covalent target modulation with small molecules has been emerging as a promising strategy for drug discovery. However, covalent inhibitory antibody re......

Design, synthesis and biological evaluation of novel 2,4-disubstituted quinazoline derivatives targeting H1975 cells via EGFR-PI3K signaling pathway

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 43 ()

In order to find new and highly effective anti-tumor drugs with targeted therapeutic effects, a series of novel 4aminoquinazoline derivatives containi......

Design, synthesis, and biological evaluation of stapled ascaphin-8 peptides

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 40 ()

Ascaphin-8 is an ?-helical anti-tumor and antimicrobial peptide containing 19 residues, which was isolated from norepinephrine-stimulated skin secreti......

Discovery of novel HBV capsid assembly modulators by structure-based virtual screening and bioassays

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 36 ()

HBV capsid assembly has been regarded as an attractive potential target for anti-HBV therapy. In this study, we discovery the Novel HBV capsid assembl......

Exploiting the hydrophobic channel of the NNIBP: Discovery of novel diarylpyrimidines as HIV-1 NNRTIs against wild-type and K103N mutant viruses

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 42 ()

To further explore the chemical space surrounding the "hydrophobic channel" of the NNRTI binding pocket (NNIBP), a new series of diarylpyrimidines (DA......

Synthesis and biological evaluation of 2-(4-alkoxy-3-cyano) phenylpyrimidine derivatives with 4-amino or 4-hydroxy as a pharmacophore element binding with xanthine oxidase active site

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 38 ()

Xanthine oxidase is the rate-limiting enzyme critical for the synthesis of uric acid, and therefore xanthine oxidase inhibitors are considered as one ......

Discovery of novel ketoxime ether derivatives with potent FXR agonistic activity, oral effectiveness and high liver/blood ratio

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 43 ()

The farnesoid X receptor (FXR) is a promising therapeutic target for nonalcoholic steatohepatitis (NASH) and other bile acid related diseases because ......

Discovery and antitumor activity of Benzo[d]imidazol-containing 2,4-dia-rylaminopyrimidine analogues as ALK inhibitors with mutation-combating effects

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 37 ()

To address drug resistance caused by ALK kinase mutations, a series of novel 2,4-diarylaminopyrimidine (DAAP) analogues were designed by incorporating......

Twin drug design, synthesis and evaluation of diosgenin derivatives as multitargeted agents for the treatment of vascular dementia

期刊: BIOORGANIC & MEDICINAL CHEMISTRY, 2021; 37 ()

A novel series of multitargeted molecules were designed and synthesized by combining the pharmacological role of cholinesterase inhibitor and antioxid......

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