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| Open AccessRational Design, Synthesis and Biological Evaluation of Pyrimidine-4,6-diamine derivatives as Type-II inhibitors of FLT3 Selective Against c-KIT
- Jaideep B. Bharate
- , Nicholas McConnell
- & Hong-yu Li
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| Open AccessExperimental study of the anti-tumour activity and pharmacokinetics of arctigenin and its valine ester derivative
- Enbo Cai
- , Xingzhuo Song
- & Shumei Tu
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| Open AccessOptimized peptide based inhibitors targeting the dihydrofolate reductase pathway in cancer
- Amrinder Singh
- , Neha Deshpande
- & Hanudatta S. Atreya
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| Open AccessElectrophilic fatty acid nitroalkenes regulate Nrf2 and NF-κB signaling:A medicinal chemistry investigation of structure-function relationships
- Nicholas K. H. Khoo
- , Lihua Li
- & Bruce A. Freeman
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| Open Access2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors
- Yves Nkizinkiko
- , Jenny Desantis
- & Lari Lehtiö
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| Open AccessInhibition of human kynurenine aminotransferase isozymes by estrogen and its derivatives
- Gayan S. Jayawickrama
- , Alireza Nematollahi
- & W. Bret Church
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| Open AccessAntagonistic effect of dopamine structural analogues on human GABAρ1 receptor
- Alfredo Alaniz-Palacios
- & Ataulfo Martínez-Torres
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| Open AccessDesign and synthesis of 5-aryl-4-(4-arylpiperazine-1-carbonyl)-2H-1,2,3-triazole derivatives as colchicine binding site inhibitors
- Yue Wu
- , Dongjie Feng
- & Weige Zhang
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| Open AccessIntracellular biomass flocculation as a key mechanism of rapid bacterial killing by cationic, amphipathic antimicrobial peptides and peptoids
- Nathaniel P. Chongsiriwatana
- , Jennifer S. Lin
- & Annelise E. Barron
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| Open AccessDiscovery of novel choline acetyltransferase inhibitors using structure-based virtual screening
- Rajnish Kumar
- , Amit Kumar
- & Taher Darreh-Shori
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| Open AccessNew Insights into PI3K Inhibitor Design using X-ray Structures of PI3Kα Complexed with a Potent Lead Compound
- Xiuyan Yang
- , Xi Zhang
- & Jian Zhang
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| Open AccessA New Generation of Arachidonic Acid Analogues as Potential Neurological Agent Targeting Cytosolic Phospholipase A2
- Cheng Yang Ng
- , Srinivasaraghavan Kannan
- & Yulin Lam
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| Open AccessProbing ligand recognition of the opioid pan antagonist AT-076 at nociceptin, kappa, mu, and delta opioid receptors through structure-activity relationships
- V. Blair Journigan
- , Willma E. Polgar
- & Nurulain T. Zaveri
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| Open AccessA Therapeutic Peptide Vaccine Against PCSK9
- Yajie Pan
- , Yanzhao Zhou
- & Yuhua Liao
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| Open AccessGRL-09510, a Unique P2-Crown-Tetrahydrofuranylurethane -Containing HIV-1 Protease Inhibitor, Maintains Its Favorable Antiviral Activity against Highly-Drug-Resistant HIV-1 Variants in vitro
- Masayuki Amano
- , Pedro Miguel Salcedo-Gómez
- & Hiroaki Mitsuya
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| Open AccessA Dual-Specific Targeting Approach Based on the Simultaneous Recognition of Duplex and Quadruplex Motifs
- Thi Quynh Ngoc Nguyen
- , Kah Wai Lim
- & Anh Tuân Phan
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| Open AccessSynergistic blending of high-valued heterocycles inhibits growth of Plasmodium falciparum in culture and P. berghei infection in mouse model
- Prashant Kumar
- , Angela O. Achieng
- & Brijesh Rathi
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| Open AccessPotent in vitro and in vivo antifungal activity of a small molecule host defense peptide mimic through a membrane-active mechanism
- Lorenzo P. Menzel
- , Hossain Mobaswar Chowdhury
- & Gill Diamond
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| Open AccessGalactosylsphingamides: new α-GalCer analogues to probe the F’-pocket of CD1d
- Joren Guillaume
- , Jing Wang
- & Serge Van Calenbergh
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| Open AccessPotent anti-cancer effects of less polar Curcumin analogues on gastric adenocarcinoma and esophageal squamous cell carcinoma cells
- Fatemeh Alibeiki
- , Naser Jafari
- & Hadi Peeri Dogaheh
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| Open AccessPeptoids successfully inhibit the growth of gram negative E. coli causing substantial membrane damage
- Biljana Mojsoska
- , Gustavo Carretero
- & Håvard Jenssen
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| Open AccessA new serotonin 5-HT6 receptor antagonist with procognitive activity – Importance of a halogen bond interaction to stabilize the binding
- Juan A. González-Vera
- , Rocío A. Medina
- & María L. López-Rodríguez
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| Open AccessA Comprehensive Evaluation of the Activity and Selectivity Profile of Ligands for RGD-binding Integrins
- Tobias G. Kapp
- , Florian Rechenmacher
- & Horst Kessler
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| Open AccessPotential New H1N1 Neuraminidase Inhibitors from Ferulic Acid and Vanillin: Molecular Modelling, Synthesis and in Vitro Assay
- Maywan Hariono
- , Nurshariza Abdullah
- & Habibah A. Wahab
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| Open AccessCrystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer
- Leilei Fu
- , Shuya Wang
- & Liang Ouyang
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| Open AccessDesign, synthesis and biological evaluation of hybrids of β-carboline and salicylic acid as potential anticancer and apoptosis inducing agents
- Qi-Bing Xu
- , Xiang-Fan Chen
- & Yong Ling
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| Open AccessA unique peptide deformylase platform to rationally design and challenge novel active compounds
- Sonia Fieulaine
- , Rodolphe Alves de Sousa
- & Carmela Giglione
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| Open AccessA Novel Resveratrol Based Tubulin Inhibitor Induces Mitotic Arrest and Activates Apoptosis in Cancer Cells
- Elizabeth Thomas
- , Vidya Gopalakrishnan
- & Bibha Choudhary
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| Open AccessA fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms
- Alan M. Jones
- , Isaac M. Westwood
- & Rob L. M. van Montfort
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| Open AccessThe structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers
- Sven O. Dahms
- , John W. M. Creemers
- & Manuel E. Than
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| Open AccessAntiviral activities of peptide-based covalent inhibitors of the Enterovirus 71 3C protease
- Yong Wah Tan
- , Melgious Jin Yan Ang
- & Justin Jang Hann Chu
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| Open AccessSite-specific Isopeptide Bridge Tethering of Chimeric gp41 N-terminal Heptad Repeat Helical Trimers for the Treatment of HIV-1 Infection
- Chao Wang
- , Xue Li
- & Keliang Liu
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| Open AccessBinding site elucidation and structure guided design of macrocyclic IL-17A antagonists
- Shenping Liu
- , Leslie A. Dakin
- & Atli Thorarensen
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| Open AccessSynthetic small molecule GLP-1 secretagogues prepared by means of a three-component indole annulation strategy
- Oleg G. Chepurny
- , Colin A. Leech
- & George G. Holz
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| Open AccessFunction-specific virtual screening for GPCR ligands using a combined scoring method
- Albert J. Kooistra
- , Henry F. Vischer
- & Chris de Graaf
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| Open AccessDesign, biological evaluation and 3D QSAR studies of novel dioxin-containing pyrazoline derivatives with thiourea skeleton as selective HER-2 inhibitors
- Bing Yang
- , Yu-Shun Yang
- & Hai-Liang Zhu
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| Open AccessInhibiting complex IL-17A and IL-17RA interactions with a linear peptide
- Shenping Liu
- , Joel Desharnais
- & Lauren D. Wood
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| Open AccessDesign, Synthesis and Antitumor Activity of Novel link-bridge and B-Ring Modified Combretastatin A-4 (CA-4) Analogues as Potent Antitubulin Agents
- Yong-Tao Duan
- , Ruo-Jun Man
- & Hai-Liang Zhu
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| Open AccessBioactivity Focus of α-Cyano-4-hydroxycinnamic acid (CHCA) Leads to Effective Multifunctional Aldose Reductase Inhibitors
- Laitao Zhang
- , Yi-Fang Li
- & Heru Chen
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| Open AccessStructure-based Inhibitor Design for the Intrinsically Disordered Protein c-Myc
- Chen Yu
- , Xiaogang Niu
- & Luhua Lai
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| Open AccessArchitecture of high-affinity unnatural-base DNA aptamers toward pharmaceutical applications
- Ken-ichiro Matsunaga
- , Michiko Kimoto
- & Ichiro Hirao
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| Open AccessStructure-based drug design targeting the cell membrane receptor GPBAR1: exploiting the bile acid scaffold towards selective agonism
- Francesco Saverio Di Leva
- , Carmen Festa
- & Vittorio Limongelli
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| Open AccessDiscovery of Novel ROCK1 Inhibitors via Integrated Virtual Screening Strategy and Bioassays
- Mingyun Shen
- , Sheng Tian
- & Tingjun Hou
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| Open AccessThe identification of novel Mycobacterium tuberculosis DHFR inhibitors and the investigation of their binding preferences by using molecular modelling
- Wei Hong
- , Yu Wang
- & Hao Wang
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| Open AccessStructural basis for recognition of Emi2 by Polo-like kinase 1 and development of peptidomimetics blocking oocyte maturation and fertilization
- Jia-Lin Jia
- , Young-Hyun Han
- & Suk Namgoong
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| Open AccessSelective Negative Allosteric Modulation Of Metabotropic Glutamate Receptors – A Structural Perspective of Ligands and Mutants
- Kasper Harpsøe
- , Vignir Isberg
- & David E. Gloriam
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| Open AccessDiscovery of a series of novel phenylpiperazine derivatives as EGFR TK inhibitors
- Juan Sun
- , Xin-Yi Wang
- & Hai-Liang Zhu
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| Open AccessFormation and stabilization of the telomeric antiparallel G-quadruplex and inhibition of telomerase by novel benzothioxanthene derivatives with anti-tumor activity
- Wen Zhang
- , Min Chen
- & Yan Xu
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| Open AccessDesign of substrate-based BCR-ABL kinase inhibitors using the cyclotide scaffold
- Yen-Hua Huang
- , Sónia T. Henriques
- & David J. Craik