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| Open AccessSubstituted salicylic acid analogs offer improved potency against multidrug-resistant Neisseria gonorrhoeae and good selectivity against commensal vaginal bacteria
- Hanan Almolhim
- , Ahmed E. M. Elhassanny
- & Paul R. Carlier
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| Open AccessGreen “turn-off” luminescent nanosensors for the sensitive determination of desperately fluorescent antibacterial antiviral agent and its metabolite in various matrices
- Hadil M. Elbardisy
- , Mai M. Elnaggar
- & Amira F. El-Yazbi
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| Open AccessThe amide derivative of anticopalic acid induces non-apoptotic cell death in triple-negative breast cancer cells by inhibiting FAK activation
- Pornsuda Chawengrum
- , Natthaorn Luepongpatthana
- & Somsak Ruchirawat
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| Open AccessNi2+ and Cu2+ complexes of N-(2,6-dichlorophenyl)-N-mesityl formamidine dithiocarbamate structural and functional properties as CYP3A4 potential substrates
- Segun D. Oladipo
- , Sizwe J. Zamisa
- & Monsurat M. Lawal
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| Open AccessA conformational rearrangement of the SARS-CoV-2 host protein sigma-1 is required for antiviral activity: insights from a combined in-silico/in-vitro approach
- Francesca Serena Abatematteo
- , Pietro Delre
- & Carmen Abate
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| Open AccessDesign, synthesis, in vitro, and in silico evaluations of benzo[d]imidazole-amide-1,2,3-triazole-N-arylacetamide hybrids as new antidiabetic agents targeting α-glucosidase
- Faeze Yousefnejad
- , Mahyar Mohammadi-Moghadam-Goozali
- & Mohammad Mahdavi
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| Open AccessA new validated facile HPLC analysis method to determine methylprednisolone including its derivatives and practical application
- Mostafa F. Al-Hakkani
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| Open AccessiTRAQ-based quantitative proteomics analysis of the effect of ACT001 on non-alcoholic steatohepatitis in mice
- Hui Zhou
- , Bin Niu
- & Ping Li
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| Open AccessForensic toxicokinetics of difenidol hydrochloride in vivo verified by practical lethal cases
- Weifen Niu
- , Tongxi Ren
- & Keming Yun
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| Open AccessEffects of dialkoxybenzenes against Varroa destructor and identification of 1-allyloxy-4-propoxybenzene as a promising acaricide candidate
- Soniya Dawdani
- , Marissa O’Neill
- & Erika Plettner
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| Open AccessCrystal structure of [1,2,4]triazolo[4,3-
b ]pyridazine derivatives as BRD4 bromodomain inhibitors and structure–activity relationship study- Jung-Hoon Kim
- , Navin Pandit
- & Byung Il Lee
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| Open AccessRepurposing and computational design of PARP inhibitors as SARS-CoV-2 inhibitors
- Shailima Rampogu
- , Tae Sung Jung
- & Keun Woo Lee
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| Open AccessInsights from molecular dynamics and DFT calculations into the interaction of 1,4-benzodiazepines with 2-hydroxypropyl-βCD in a theoretical study
- Mokhtar Ganjali Koli
- , Rahime Eshaghi Malekshah
- & Hossein Hajiabadi
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| Open AccessSimultaneous determination of 2-(3-hydroxy-5-phosphonooxymethyl-2-methyl-4-pyridyl)-1,3-thiazolidine-4-carboxylic acid and main plasma aminothiols by HPLC–UV based method
- Justyna Piechocka
- , Monika Wyszczelska-Rokiel
- & Rafał Głowacki
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| Open AccessIn vivo toxicity evaluation of a polyoxotungstate nanocluster as a promising contrast agent for computed tomography
- Marko Stojanović
- , Jovana Lalatović
- & Danijela Krstić
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| Open AccessNovel N′-substituted benzylidene benzohydrazides linked to 1,2,3-triazoles: potent α-glucosidase inhibitors
- Mina Saeedi
- , Roshanak Hariri
- & Tahmineh Akbarzadeh
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| Open AccessMolecule generation using transformers and policy gradient reinforcement learning
- Eyal Mazuz
- , Guy Shtar
- & Lior Rokach
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Article
| Open AccessFacile photosynthesis of novel porphyrin-derived nanocomposites containing Ag, Ag/Au, and Ag/Cu for photobactericidal study
- Sajedeh Tehrani Nejad
- , Rahmatollah Rahimi
- & Sadegh Rostamnia
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| Open AccessTargeting fibrotic signaling pathways by EGCG as a therapeutic strategy for uterine fibroids
- Md Soriful Islam
- , Maclaine Parish
- & James H. Segars
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| Open AccessHybrid quantum-classical machine learning for generative chemistry and drug design
- A. I. Gircha
- , A. S. Boev
- & A. K. Fedorov
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| Open AccessUltrasound-Promoted preparation and application of novel bifunctional core/shell Fe3O4@SiO2@PTS-APG as a robust catalyst in the expeditious synthesis of Hantzsch esters
- Peyman Shakib
- , Mohammad G. Dekamin
- & Mohammad Dohendou
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| Open AccessSynthesis, in vitro inhibitor screening, structure–activity relationship, and molecular dynamic simulation studies of novel thioquinoline derivatives as potent α-glucosidase inhibitors
- RasaDokht Forozan
- , Minoo Khalili Ghomi
- & Mohammad Mahdavi
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| Open AccessDesign, synthesis and anticancer activities evaluation of novel pyrazole modified catalpol derivatives
- Yuanfang Kong
- , Shuanglin Liu
- & Chunhong Dong
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| Open AccessDesigning highly potent compounds using a chemical language model
- Hengwei Chen
- & Jürgen Bajorath
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| Open AccessEvaluating the ability of some natural phenolic acids to target the main protease and AAK1 in SARS COV-2
- Heba I. Ghamry
- , Amany Belal
- & Doaa Abdelrahman
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| Open AccessScaffold repositioning of spiro-acridine derivatives as fungi chitinase inhibitor by target fishing and in vitro studies
- Jéssika de Oliveira Viana
- , Eden Silva e Souza
- & Euzébio Guimarães Barbosa
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| Open AccessTranscriptomic analysis of glutamate-induced HT22 neurotoxicity as a model for screening anti-Alzheimer’s drugs
- Anchalee Prasansuklab
- , Suporn Sukjamnong
- & Tewin Tencomnao
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| Open AccessBiotransformation and bioaccessibility of active ingredients from Radix Astragali by Poria cocos during solid-state fermentation and in vitro digestion and antioxidant activity evaluation
- Cai-Yun Chen
- , Run Zhang
- & Jia-Yu Zhang
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| Open AccessRelease systems based on self-assembling RADA16-I hydrogels with a signal sequence which improves wound healing processes
- Maria Dzierżyńska
- , Justyna Sawicka
- & Sylwia Rodziewicz-Motowidło
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| Open AccessModulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis
- Frances M. Bashore
- , Ariana B. Marquez
- & Alison D. Axtman
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| Open AccessDifferences in learning characteristics between support vector machine and random forest models for compound classification revealed by Shapley value analysis
- Friederike Maite Siemers
- & Jürgen Bajorath
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| Open AccessSynthesis and biological evaluation of substituted acetamide derivatives as potential butyrylcholinestrase inhibitors
- Dehong Yu
- , Can Yang
- & Yanfang Li
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| Open AccessMolecular simulations of SSTR2 dynamics and interaction with ligands
- Silvia Gervasoni
- , Camilla Guccione
- & Giuliano Malloci
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| Open AccessDesign and synthesis of novel cytotoxic fluoroquinolone analogs through topoisomerase inhibition, cell cycle arrest, and apoptosis
- Mohamed A. Elanany
- , Essam Eldin A. Osman
- & Sahar M. Abou-Seri
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| Open AccessInteraction of hemorphins with ACE homologs
- Amie Jobe
- , Priya Antony
- & Ranjit Vijayan
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| Open AccessThe interactions of monomeric acridines and unsymmetrical bisacridines (UAs) with DNA duplexes: an insight provided by NMR and MD studies
- Tomasz Laskowski
- , Michał Kosno
- & Zofia Mazerska
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| Open AccessMagnetic solid phase extraction of Sunitinib malate in urine samples assisted with mixed hemimicelle and spectrophotometric detection
- Eslam Pourbasheer
- , Leila Malekpour
- & Mohammad Reza Ganjali
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| Open AccessProtective effect of Anoectochilus burmannicus extracts and its active compound, kinsenoside on adipocyte differentiation induced by benzyl butyl phthalate and bisphenol A
- Pensiri Buacheen
- , Jirarat Karinchai
- & Pornsiri Pitchakarn
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| Open AccessIdentifying inhibitors of β-haematin formation with activity against chloroquine-resistant Plasmodium falciparum malaria parasites via virtual screening approaches
- Leah Amod
- , Roxanne Mohunlal
- & Kathryn J. Wicht
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| Open AccessNon-invasive estimation of hemoglobin, bilirubin and oxygen saturation of neonates simultaneously using whole optical spectrum analysis at point of care
- Amrita Banerjee
- , Neha Bhattacharyya
- & Samir Kumar Pal
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| Open AccessSynthesis of new diphenyl urea-clubbed imine analogs and its Implications in diabetic management through in vitro and in silico approaches
- Anam Rubbab Pasha
- , Ajmal Khan
- & Zahid Shafiq
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| Open AccessAntibiotic-sterol interactions provide insight into the selectivity of natural aromatic analogues of amphotericin B and their photoisomers
- Julia Borzyszkowska-Bukowska
- , Jacek Czub
- & Tomasz Laskowski
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| Open AccessIn silico and in vitro studies confirm Ondansetron as a novel acetylcholinesterase and butyrylcholinesterase inhibitor
- Asma Gholami
- , Dariush Minai-Tehrani
- & Leif A. Eriksson
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| Open AccessA strategy for evaluating potential antiviral resistance to small molecule drugs and application to SARS-CoV-2
- Karen Sargsyan
- , Karine Mazmanian
- & Carmay Lim
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| Open AccessIsocratic ion pair chromatography for estimation of novel combined inhalation therapy that blocks coronavirus replication in chronic asthmatic patients
- Mohammed E. A. Hammouda
- , Yomna A. Salem
- & Mohamed A. Abu El-Enin
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| Open AccessStructure optimization of new tumor-selective Passerini α-acyloxy carboxamides as Caspase-3/7 activators
- Mohammed Salah Ayoup
- , Yasmin Wahby
- & Mohamed Teleb
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Article
| Open AccessIntegrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target
- Satish Anandan
- , Hittanahallikoppal Gajendramurthy Gowtham
- & Daniel Glossman-Mitnik
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Article
| Open AccessSpectroscopic characterization and assessment of microbiological potential of 1,3,4-thiadiazole derivative showing ESIPT dual fluorescence enhanced by aggregation effects
- Iwona Budziak-Wieczorek
- , Lidia Ślusarczyk
- & Arkadiusz Matwijczuk
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Article
| Open AccessDesign, synthesis, in vitro, in silico, and SAR studies of flavone analogs towards anti-dengue activity
- Apinya Patigo
- , Kowit Hengphasatporn
- & Tanatorn Khotavivattana