Featured
-
-
Article
| Open Access
Targeting the receptor binding domain and heparan sulfate binding for antiviral drug development against SARS-CoV-2 variants
- Zi-Sin Yang
- , Tzong-Shiun Li
- & Ching-Ming Chien
-
Article
| Open Access
Semisynthesis of 5-O-ester derivatives of renieramycin T and their cytotoxicity against non-small-cell lung cancer cell lines
- Koonchira Buaban
- , Bhurichaya Innets
- & Supakarn Chamni
-
Article
| Open Access
Synthesis and biochemical evaluation of 17-N-beta-aminoalkyl-4,5α-epoxynormorphinans
- Ferenc Ötvös
- , Edina Szűcs
- & Sándor Benyhe
-
Article
| Open Access
In vitro and in silico prediction of antibacterial interaction between essential oils via graph embedding approach
- Hiroaki Yabuuchi
- , Kazuhito Hayashi
- & Kazuyuki Miyai
-
Editorial
| Open AccessDrug repurposing: a nexus of innovation, science, and potential
The urgency of finding therapeutic solutions for emerging and existing health challenges has never been more pronounced. In the pursuit of this goal, the value of a strategy that makes use of existing resources is being recognized: drug repurposing or repositioning of compounds for new indications. Such approaches are employed against cancer, rheumatoid arthritis, multiple sclerosis, HIV/AIDS, and many other diseases. This Collection, aptly titled “Drug Repurposing”, includes research and perspectives from scientists at the forefront of this innovative field.
- Maria Cristina De Rosa
- , Rituraj Purohit
- & Alfonso T. García-Sosa
-
Article
| Open Access
Menthol- and thymol-based ciprofloxacin derivatives against Mycobacterium tuberculosis: in vitro activity, lipophilicity, and computational studies
- Daniel Szulczyk
- , Mateusz Woziński
- & Krzesimir Ciura
-
Article
| Open Access
Imidazo[1,2-c]quinazolines as a novel and potent scaffold of α-glucosidase inhibitors: design, synthesis, biological evaluations, and in silico studies
- Fariba Peytam
- , Faezeh sadat Hosseini
- & Alireza Foroumadi
-
Article
| Open Access
Substituted 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
-
Article
| Open Access
Green “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
-
Article
| Open Access
The 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
-
Article
| Open Access
iTRAQ-based quantitative proteomics analysis of the effect of ACT001 on non-alcoholic steatohepatitis in mice
- Hui Zhou
- , Bin Niu
- & Ping Li
-
Article
| Open Access
Effects of dialkoxybenzenes against Varroa destructor and identification of 1-allyloxy-4-propoxybenzene as a promising acaricide candidate
- Soniya Dawdani
- , Marissa O’Neill
- & Erika Plettner
-
Article
| Open Access
Repurposing and computational design of PARP inhibitors as SARS-CoV-2 inhibitors
- Shailima Rampogu
- , Tae Sung Jung
- & Keun Woo Lee
-
Article
| Open Access
Molecule generation using transformers and policy gradient reinforcement learning
- Eyal Mazuz
- , Guy Shtar
- & Lior Rokach
-
Article
| Open Access
Targeting fibrotic signaling pathways by EGCG as a therapeutic strategy for uterine fibroids
- Md Soriful Islam
- , Maclaine Parish
- & James H. Segars
-
Article
| Open Access
Transcriptomic analysis of glutamate-induced HT22 neurotoxicity as a model for screening anti-Alzheimer’s drugs
- Anchalee Prasansuklab
- , Suporn Sukjamnong
- & Tewin Tencomnao
-
Article
| Open Access
Design 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
-
Article
| Open Access
The 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
-
Article
| Open Access
Protective 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
-
Article
| Open Access
Identifying 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
-
Article
| Open Access
Design, synthesis, in vitro, in silico, and SAR studies of flavone analogs towards anti-dengue activity
- Apinya Patigo
- , Kowit Hengphasatporn
- & Tanatorn Khotavivattana
-
Article
| Open Access
Synthesis of an amphiphilic vancomycin aglycone derivative inspired by polymyxins: overcoming glycopeptide resistance in Gram-positive and Gram-negative bacteria in synergy with teicoplanin in vitro
- Zsolt Szűcs
- , Ilona Bereczki
- & Anikó Borbás
-
Article
| Open Access
Influence of tramadol on bacterial burden in the standard neutropenic thigh infection model
- K. Rox
-
Article
| Open Access
An efflux-susceptible antibiotic-adjuvant with systemic efficacy against mouse infections
- Ohad Meir
- , Fadia Zaknoon
- & Amram Mor
-
Article
| Open Access
Semisynthetic teicoplanin derivatives with dual antimicrobial activity against SARS-CoV-2 and multiresistant bacteria
- Ilona Bereczki
- , Vladimir Vimberg
- & Anikó Borbás
-
Article
| Open Access
Design, synthesis, and in silico studies of quinoline-based-benzo[d]imidazole bearing different acetamide derivatives as potent α-glucosidase inhibitors
- Milad Noori
- , Ali Davoodi
- & Mohammad Mahdavi
-
Article
| Open Access
Novel psoralen derivatives as anti-breast cancer agents and their light-activated cytotoxicity against HER2 positive breast cancer cells
- Chiphada Aekrungrueangkit
- , Sirilak Wangngae
- & Tanatorn Khotavivattana
-
Article
| Open Access
Conjugates of urolithin A with NSAIDs, their stability, cytotoxicity, and anti-inflammatory potential
- Maciej Korczak
- , Piotr Roszkowski
- & Jakub P. Piwowarski
-
Article
| Open Access
Cyanoacetohydrazide linked to 1,2,3-triazole derivatives: a new class of α-glucosidase inhibitors
- Aida Iraji
- , Diba Shareghi-Brojeni
- & Mina Saeedi
-
Article
| Open Access
Detection 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
-
Article
| Open Access
Design, synthesis and evaluation of novel 2-oxoindoline-based acetohydrazides as antitumor agents
- Do T. M. Dung
- , Eun J. Park
- & Nguyen-Hai Nam
-
Article
| Open Access
Targeted isolation of photoactive pigments from mushrooms yielded a highly potent new photosensitizer: 7,7′-biphyscion
- Fabian Hammerle
- , Isabella Bingger
- & Bianka Siewert
-
Article
| Open Access
Computational 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
-
Article
| Open Access
Comprehensive exploration of chemical space using trisubstituted carboranes
- Yasunobu Asawa
- , Saki Hatsuzawa
- & Hiroyuki Nakamura
-
Article
| Open Access
Photoactivated cell-killing amino-based flavylium compounds
- Hélder Oliveira
- , Paula Araújo
- & Iva Fernandes
-
Article
| Open Access
The influence of the chemical composition of essential oils of Clausena lansium seeds on the growth of Candida strains
- Yinzheng Ma
- , Yuanxiao Wang
- & Xiaowen He
-
Article
| Open Access
Identification of new GLUT2-selective inhibitors through in silico ligand screening and validation in eukaryotic expression systems
- Sina Schmidl
- , Oleg Ursu
- & Jun-yong Choe
-
Article
| Open Access
Validation 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
-
Article
| Open Access
Molecular 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
-
Article
| Open Access
Outer membrane and phospholipid composition of the target membrane affect the antimicrobial potential of first- and second-generation lipophosphonoxins
- Klára Látrová
- , Noemi Havlová
- & Gabriela Mikušová
-
Article
| Open Access
Elucidating direct kinase targets of compound Danshen dropping pills employing archived data and prediction models
- Tongxing Wang
- , Lu Liang
- & Yunhui Hu
-
Article
| Open Access
HDAC2 targeting stabilizes the CoREST complex in renal tubular cells and protects against renal ischemia/reperfusion injury
- David D. Aufhauser Jr.
- , Paul Hernandez
- & Matthew H. Levine
-
Article
| Open Access
Trienone analogs of curcuminoids induce fetal hemoglobin synthesis via demethylation at Gγ-globin gene promoter
- Khanita Nuamsee
- , Thipphawan Chuprajob
- & Saovaros Svasti
-
Article
| Open Access
Multisubstituted pyrimidines effectively inhibit bacterial growth and biofilm formation of Staphylococcus aureus
- Riccardo Provenzani
- , Paola San-Martin-Galindo
- & Jari Yli-Kauhaluoma
-
Article
| Open Access
Identification of novel inhibitors of Keap1/Nrf2 by a promising method combining protein–protein interaction-oriented library and machine learning
- Yugo Shimizu
- , Tomoki Yonezawa
- & Kazuyoshi Ikeda
-
Article
| Open Access
Computational drug repurposing study elucidating simultaneous inhibition of entry and replication of novel corona virus by Grazoprevir
- Santosh Kumar Behera
- , Nazmina Vhora
- & Alok Jain
-
Article
| Open Access
Development of antitumor biguanides targeting energy metabolism and stress responses in the tumor microenvironment
- Takayuki Sakai
- , Yoshiyuki Matsuo
- & Hideko Nagasawa
-
Article
| Open Access
Development of water-soluble prodrugs of the bisdioxopiperazine topoisomerase IIβ inhibitor ICRF-193 as potential cardioprotective agents against anthracycline cardiotoxicity
- Hana Bavlovič Piskáčková
- , Hana Jansová
- & Petra Štěrbová-Kovaříková
-
Article
| Open Access
The antimalarial efficacy and mechanism of resistance of the novel chemotype DDD01034957
- Celia Miguel-Blanco
- , James M. Murithi
- & Michael J. Delves
Cheminformatics approach to identify andrographolide derivatives as dual inhibitors of methyltransferases (nsp14 and nsp16) of SARS-CoV-2