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| Open AccessDecoding the protein–ligand interactions using parallel graph neural networks
- Carter Knutson
- , Mridula Bontha
- & Neeraj Kumar
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Article
| Open AccessTotal synthesis and antimicrobial evaluation of (+)-hygrophorone B12 and its analogues
- Takaaki Kamishima
- , Masato Suzuki
- & Hitoshi Kasai
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| Open AccessNaloxone’s dose-dependent displacement of [11C]carfentanil and duration of receptor occupancy in the rat brain
- Yeona Kang
- , Kelly A. O’Conor
- & Nora D. Volkow
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| Open AccessFunctionalized graphene oxide nanosheets with folic acid and silk fibroin as a novel nanobiocomposite for biomedical applications
- Reza Eivazzadeh-Keihan
- , Farkhondeh Alimirzaloo
- & Mohammad Mahdavi
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Article
| Open AccessDetection and characterization of simvastatin and its metabolites in rat tissues and biological fluids using MALDI high resolution mass spectrometry approach
- Wencui Yin
- , Reem I. Al-Wabli
- & Adnan A. Kadi
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| Open AccessEffect of morpholine and charge distribution of cyanine dyes on cell internalization and cytotoxicity
- Sirilak Wangngae
- , Kantapat Chansaenpak
- & Anyanee Kamkaew
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| Open AccessDestruction of polyelectrolyte microcapsules and release of FITC-dextran from them by the influence of sodium dodecyl sulfonate
- Alexey V. Dubrovskii
- , Aleksandr L. Kim
- & Sergey A. Tikhonenko
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Article
| Open AccessDesign, synthesis and evaluation of novel 2-oxoindoline-based acetohydrazides as antitumor agents
- Do T. M. Dung
- , Eun J. Park
- & Nguyen-Hai Nam
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Article
| Open AccessDesign, synthesis and biological activities of echinopsine derivatives containing acylhydrazone moiety
- Peipei Cui
- , Mingjiang Cai
- & Qingmin Wang
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Article
| Open AccessTargeted isolation of photoactive pigments from mushrooms yielded a highly potent new photosensitizer: 7,7′-biphyscion
- Fabian Hammerle
- , Isabella Bingger
- & Bianka Siewert
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Article
| Open AccessA universal methodology for reliable predicting the non-steroidal anti-inflammatory drug solubility in supercritical carbon dioxide
- Tahereh Rezaei
- , Vesal Nazarpour
- & Farzad Tat Shahdost
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Article
| Open AccessAnti-Pseudomonas aeruginosa activity of a C16-terpene dilactone isolated from the endophytic fungus Neofusicoccum luteum of Kigelia africana (Lam.)
- Olusola Bodede
- , Mamokoena Kuali
- & Roshini Govinden
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Article
| Open AccessSynthesis and antiplasmodial activity of regioisomers and epimers of second-generation dual acting ivermectin hybrids
- Lovepreet Singh
- , Diana Fontinha
- & Kamaljit Singh
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Article
| Open AccessComputational peptidology approach to the study of the chemical reactivity and bioactivity properties of Aspergillipeptide D, a cyclopentapeptide of marine origin
- Norma Flores-Holguín
- , Juan Frau
- & Daniel Glossman-Mitnik
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Article
| Open AccessIntelligent pharmaceutical patent search on a near-term gate-based quantum computer
- Pei-Hua Wang
- , Jen-Hao Chen
- & Yufeng Jane Tseng
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Article
| Open AccessNumerical investigation of ibuprofen removal from pharmaceutical wastewater using adsorption process
- Yan Cao
- , Ali Taghvaie Nakhjiri
- & Mahdi Ghadiri
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Article
| Open AccessSynthesis and multifaceted pharmacological activity of novel quinazoline NHE-1 inhibitors
- Alexander Spasov
- , Alexander Ozerov
- & Nadezhda Ovsyankina
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Article
| Open AccessComprehensive exploration of chemical space using trisubstituted carboranes
- Yasunobu Asawa
- , Saki Hatsuzawa
- & Hiroyuki Nakamura
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Article
| Open AccessThe novel BET inhibitor UM-002 reduces glioblastoma cell proliferation and invasion
- Anna M. Jermakowicz
- , Matthew J. Rybin
- & Nagi G. Ayad
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Article
| Open AccessTherapeutic potential of TRPM8 antagonists in prostate cancer
- Marzia Di Donato
- , Carmine Ostacolo
- & Gabriella Castoria
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Article
| Open AccessA metabolomics approach to evaluate the effect of lyophilization versus oven drying on the chemical composition of plant extracts
- Nancy A. ElNaker
- , Mariane Daou
- & Lina F. Yousef
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Article
| Open AccessIdentification of ligand binding sites in intrinsically disordered proteins with a differential binding score
- Qiao-Hong Chen
- & V. V. Krishnan
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Article
| Open AccessPhotoactivated cell-killing amino-based flavylium compounds
- Hélder Oliveira
- , Paula Araújo
- & Iva Fernandes
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Article
| Open AccessThe effect of fatty diacid acylation of human PYY3-36 on Y2 receptor potency and half-life in minipigs
- Søren Østergaard
- , Johan F. Paulsson
- & Birgitte S. Wulff
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Article
| Open AccessDesign, synthesis, biological evaluation, and molecular modeling studies of pyrazole-benzofuran hybrids as new α-glucosidase inhibitor
- Fateme Azimi
- , Homa Azizian
- & Mohammad Mahdavi
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Article
| Open AccessSynthesis of some novel coumarin isoxazol sulfonamide hybrid compounds, 3D-QSAR studies, and antibacterial evaluation
- Sheida Nasr Esfahani
- , Mohammad Sadegh Damavandi
- & Ahmad Reza Massah
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Article
| Open AccessMolecular imaging of myogenic stem/progenitor cells with [18F]-FHBG PET/CT system in SCID mice model of post-infarction heart
- Weronika Wargocka-Matuszewska
- , Katarzyna Fiedorowicz
- & Maciej Kurpisz
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Article
| Open AccessCytosolic protein delivery using pH-responsive, charge-reversible lipid nanoparticles
- Yusuke Hirai
- , Hisaaki Hirose
- & Shiroh Futaki
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Article
| Open AccessThe influence of the chemical composition of essential oils of Clausena lansium seeds on the growth of Candida strains
- Yinzheng Ma
- , Yuanxiao Wang
- & Xiaowen He
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Article
| Open AccessCharacterization of fluorescent probe substrates to develop an efficient high-throughput assay for neonatal hepatic CYP3A7 inhibition screening
- Hannah M. Work
- , Sylvie E. Kandel
- & Jed N. Lampe
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Article
| Open AccessThe selective NLRP3 inhibitor MCC950 hinders atherosclerosis development by attenuating inflammation and pyroptosis in macrophages
- Wenyun Zeng
- , Danbin Wu
- & Yijing Wang
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Article
| Open AccessProtective mechanism of Erigeron breviscapus injection on blood–brain barrier injury induced by cerebral ischemia in rats
- Guangli Liu
- , Yan Liang
- & Zhang Wang
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Article
| Open AccessNatural phytoalexin stilbene compound resveratrol and its derivatives as anti-tobacco mosaic virus and anti-phytopathogenic fungus agents
- Pengfei Song
- , Xiuling Yu
- & Qingmin Wang
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Article
| Open AccessAcetylation turns leucine into a drug by membrane transporter switching
- Grant C. Churchill
- , Michael Strupp
- & Antony Galione
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Article
| Open AccessSynthesis and biological screening of new thiadiazolopyrimidine-based polycyclic compounds
- Alaa M. Alqahtani
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Article
| Open AccessIdentification of non-classical hCA XII inhibitors using combination of computational approaches for drug design and discovery
- Mohammad M. Al-Sanea
- , Garri Chilingaryan
- & Mohamed A. Abdelgawad
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| Open AccessTetramethylguanidine-functionalized melamine as a multifunctional organocatalyst for the expeditious synthesis of 1,2,4-triazoloquinazolinones
- Mahnoush Keshavarz
- , Mohammad G. Dekamin
- & Mohammad Nikpassand
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Article
| Open AccessIdentification of V6.51L as a selectivity hotspot in stereoselective A2B adenosine receptor antagonist recognition
- Xuesong Wang
- , Willem Jespers
- & Hugo Gutiérrez-de-Terán
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| Open AccessIdentification of new GLUT2-selective inhibitors through in silico ligand screening and validation in eukaryotic expression systems
- Sina Schmidl
- , Oleg Ursu
- & Jun-yong Choe
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Article
| Open AccessStereoselective synthesis of a 4-⍺-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S
- Anshupriya Si
- , Thilina D. Jayasinghe
- & Steven J. Sucheck
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Article
| Open AccessValidation of an adipose-liver human-on-a-chip model of NAFLD for preclinical therapeutic efficacy evaluation
- Victoria L. Slaughter
- , John W. Rumsey
- & J. J. Hickman
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Article
| Open AccessImprovement in aqueous solubility of achiral symmetric cyclofenil by modification to a chiral asymmetric analog
- Junki Morimoto
- , Kazunori Miyamoto
- & Minoru Ishikawa
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Article
| Open AccessSyntheses of mono-acylated luteolin derivatives, evaluation of their antiproliferative and radical scavenging activities and implications on their oral bioavailability
- Stephen Lo
- , Euphemia Leung
- & David Barker
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Article
| Open AccessTranscriptional drug repositioning and cheminformatics approach for differentiation therapy of leukaemia cells
- Yasaman KalantarMotamedi
- , Fatemeh Ejeian
- & Andreas Bender
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| Open AccessLabel-free high-throughput screening assay for the identification of norepinephrine transporter (NET/SLC6A2) inhibitors
- Hubert J. Sijben
- , Wieke M. van Oostveen
- & Laura H. Heitman
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Article
| Open AccessMolecular insight into isoform specific inhibition of PI3K-α and PKC-η with dietary agents through an ensemble pharmacophore and docking studies
- Baki Vijaya Bhaskar
- , Aluru Rammohan
- & Wei Gu
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| Open AccessDesign, synthesis, molecular docking, and in vitro α-glucosidase inhibitory activities of novel 3-amino-2,4-diarylbenzo[4,5]imidazo[1,2-a]pyrimidines against yeast and rat α-glucosidase
- Fariba Peytam
- , Ghazaleh Takalloobanafshi
- & Alireza Foroumadi
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| Open AccessSulfamic acid pyromellitic diamide-functionalized MCM-41 as a multifunctional hybrid catalyst for melting-assisted solvent-free synthesis of bioactive 3,4-dihydropyrimidin-2-(1H)-ones
- Ehsan Valiey
- , Mohammad G. Dekamin
- & Zahra Alirezvani
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| Open AccessOn valorization of solvent extracts of Terminalia arjuna (arjuna) upon DNA scission and free radical scavenging improves coupling responses and cognitive functions under in vitro conditions
- D. K. Meena
- , A. K. Sahoo
- & B. K. Das