A5078236748- Computational Drug Discovery Methods
- Metabolism and Genetic Disorders
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Boron Compounds in Chemistry
- Transplantation: Methods and Outcomes
- Protein Structure and Dynamics
- Cholinesterase and Neurodegenerative Diseases
- Chemical Synthesis and Analysis
- Receptor Mechanisms and Signaling
- Chemical synthesis and alkaloids
- Enzyme Structure and Function
- Microbial Natural Products and Biosynthesis
- Ubiquitin and proteasome pathways
- Phosphodiesterase function and regulation
- Marine Sponges and Natural Products
- Seaweed-derived Bioactive Compounds
- Biochemical and Molecular Research
- Alkaloids: synthesis and pharmacology
- Phytochemistry and Bioactive Compounds
- Protein Degradation and Inhibitors
- Cancer therapeutics and mechanisms
- Amino Acid Enzymes and Metabolism
- Bioactive Compounds and Antitumor Agents
- Fungal Biology and Applications
Kunming Institute of Botany
2016-2025
University of Chinese Academy of Sciences
2019-2025
Sichuan University of Science and Engineering
2018-2025
Chengdu University of Technology
2025
Chinese Academy of Sciences
2015-2024
Robert Bosch (Germany)
2021
Yunnan University
2019-2020
Kunming University
2015-2020
Academia Sinica
2020
Chinese People's Armed Police Force Medical College Affiliated Hospital
2017
The new melokhanines A–J (1–10) and 22 known (11–32) alkaloids were isolated from the twigs leaves of Melodinus khasianus. compounds their absolute configurations elucidated by extensive analysis spectroscopic, X-ray diffraction, computational data. Melokhanine A (1), composed a hydroxyindolinone linked to an octahydrofuro[2,3-b]pyridine moiety, is unprecedented monoterpenoid indole alkaloid. Melokhanines B–H (2–8) possess 6/5/5/6/6 pentacyclic alkaloid skeleton. Alkaloids 1–16, 25–27, 31,...
By virtual screening, compound 1 was found to be active against NS2B-NS3 protease (IC(50) = 13.12 ± 1.03 μM). Fourteen derivatives (22) of were synthesized, leading the discovery four new inhibitors with biological activity. In order expand chemical diversity inhibitors, small-molecule-based scaffold hopping performed on basis common compounds and 22. Twenty-one (23, 24) containing quinoline (new scaffold) designed synthesized. Protease inhibition assays revealed that 12 are protease. Taken...
Abstract This study is intended to characterize the cellular target of gambogic acid (GA), a natural product isolated from gamboge resin Garcinia hurburyi tree, which possesses potent in vitro and vivo antitumor activities. The antiproliferative activity GA was further confirmed here panel human tumor cells multidrug-resistant cells. We found that significantly inhibited catalytic topoisomerase (Topo) II and, comparatively less extent, Topo I, without trapping stabilizing covalent...
Abstract OCTN2 is a bifunctional transporter that reabsorbs filtered carnitine in sodium-dependent manner and secretes organic cations into urine as proton antiport mechanism. We hypothesized inhibition of by anticancer drugs can influence resorption. OCTN2-mediated transport was assessed using cells transfected with human (hOCTN2) or mouse Octn2 (mOctn2). Excretion acetylcarnitine measured collected from mice pediatric patients cancer before after administration etoposide. Five 27 tested...
T-type calcium channel (TTCC) inhibitors hold great potential for the treatment of a variety neurological disorders. Cochlearoids A–E (1–5), five pairs dimeric meroterpenoid enantiomers, and cochlearines A (6) B (7), two enantiomeric hybrid metabolites, were isolated characterized from Ganoderma cochlear. Biological evaluation found that compounds (+)-1, (−)-3, (±)-6 significantly inhibited Cav3.1 TTCC showed noticeable selectivity against Cav1.2, Cav2.1, Cav2.2, Kv11.1 (hERG) channels.
(±)-Aspongamide A (1), an unusual trimer of N-acetyldopamine (NADA) bearing a novel tetrahydrobenzo[a]dibenzo[b,e][1,4]dioxine structure, and pair NADA dimeric enantiomers (2) were isolated from Aspongopus chinensis. The structures compounds 1 2 assigned using spectroscopic methods. Compound was found to be inhibitor Smad3 phosphorylation in transforming growth factor-β1 (TGF-β1) induced rat renal proximal tubular cells suppressed extracellular matrix expression mesangial under diabetic conditions.
Euphorbia peplus has been used in traditional medicine to treat asthma and psoriasis. Three highly modified diterpenoids, namely, pepluacetal (1) pepluanol A-B (2-3), have isolated identified from this plant. Compounds 1-3 exhibit unprecedented 5/4/7/3, 5/6/7/3, 5/5/8/3 ring systems, respectively. Their structures with absolute configurations were determined by spectroscopic analyses, X-ray crystallography, electronic circular dichroism calculations. Since Kv1.3 is a validated target for the...
Abstract Purpose: Carnitine is an essential cofactor for mitochondrial fatty acid oxidation that actively reabsorbed by the luminal transporter Octn2 (Slc22a5). Because nephrotoxic agent cisplatin causes urinary loss of carnitine in humans, we hypothesized may affect function. Experimental Design: Excretion and acetylcarnitine was measured urine collected from mice with or without administration. The transport assessed cells were transfected OCT1 OCT2. effect treatment on gene expression...
Previously, vibsanin B (ViB) was found to preferentially target HSP90β compared HSP90α. In this study, multiple experiments, including pull-down assays of biotin-ViB with recombinant HSP90β-NTD, MD, CTD, and full-length HSP90β, molecular docking ViB its derivatives the HSP90 a inhibition assay interaction CTD GST-tagged cyclophilin 40 (Cyp40) by derivatives, suggest that can directly bind C-terminus. On basis predictions primary structure-activity relationships (SARs), series analogues...
Three competitive PTP1B inhibitory diterpenoids with a 5,6-<italic>seco</italic>-grayanane carbon skeleton (<bold>1–3</bold>) were isolated and identified from<italic>Rhododendron molle</italic>. A more potent inhibitor (<bold>9</bold>) was designed prepared based on docking study.
Abstract A versatile terpene synthase (LcTPS2) producing unconventional macrocyclic terpenoids was characterized from Leucosceptrum canum. Engineered Escherichia coli and Nicotiana benthamiana expressing LcTPS2 produced six 18‐/14‐membered sesterterpenoids including five new ones two 14‐membered diterpenoids. These products represent the first plants largest sesterterpenoid ring system identified to date. Two variants F516A F516G approximately 3.3‐ 2.5‐fold, respectively, more than wild‐type...
ABSTRACT The NS2B cofactor is critical for proteolytic activation of the flavivirus NS3 protease. To elucidate mechanism involved in NS2B-mediated protease, molecular dynamic simulation, principal component analysis, docking, mutagenesis, and bioassay studies were carried out on both dengue virus NS3pro NS2B-NS3pro systems. results revealed that complex more rigid than alone due to its robust hydrogen bond hydrophobic interaction networks within complex. These potent lead remodeling...
// Ling-Mei Kong 1, 2, ‡ , Xu Deng Zhi-Li Zuo 1 Han-Dong Sun Qin-Shi Zhao * Yan Li State Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute Botany, Chinese Academy Sciences, 650201, China 2 Graduate University the Beijing 100039, These authors contributed equally to this work Correspondence to: Li, email: liyanb@mail.kib.ac.cn Zhao, qinshizhao@mail.kib.ac.cn Keywords: EriB, activity-based probes, p50, NF-κB signaling, apoptosis Received: June 24, 2014...
Three new dihydroisocoumarin glucosides, termed periplanosides A–C (1–3), a known analog, pericanaside (4), and the other twenty compounds were isolated from insect Periplaneta americana. Their structures including absolute configurations determined by comprehensive spectroscopic analyses computational methods. Biological evaluation showed that compound 2 could stimulate collagen production 31.2% in human dermal fibroblasts-adult (HDFa) at concentration of 30 μM, indicating its significance...