Yasuda K, Berenger F, Amaike K, Ueda A, Nakagomi T, Hamasaki G
iScience. 2025; 28(1):111526.
PMID: 39801837
PMC: 11721219.
DOI: 10.1016/j.isci.2024.111526.
Lucas S, Blackwell J, Borjesson U, Hargreaves D, Milbradt A, Ahmed S
ACS Med Chem Lett. 2024; 15(6):791-797.
PMID: 38894895
PMC: 11181504.
DOI: 10.1021/acsmedchemlett.4c00113.
Chan B, Lynch N, Tran W, Joyce J, Savage G, Meutermans W
Front Chem. 2024; 12:1379518.
PMID: 38698940
PMC: 11063241.
DOI: 10.3389/fchem.2024.1379518.
Hussain R, Hackett A, Alvarez-Carretero S, Tabernero L
Int J Mol Sci. 2024; 25(4).
PMID: 38396680
PMC: 10889202.
DOI: 10.3390/ijms25042002.
Gomes B, Senger M, Moreira-Filho J, Vasconcellos Junior F, Dantas R, Owens R
Mem Inst Oswaldo Cruz. 2023; 118:e230031.
PMID: 37672425
PMC: 10481938.
DOI: 10.1590/0074-02760230031.
Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
Roehrig S, Ackerstaff J, Jimenez Nunez E, Teller H, Ellerbrock P, Meier K
J Med Chem. 2023; 66(17):12203-12224.
PMID: 37669040
PMC: 10510402.
DOI: 10.1021/acs.jmedchem.3c00795.
The hope and hype of ellagic acid and urolithins as ligands of SARS-CoV-2 Nsp5 and inhibitors of viral replication.
Bianconi E, Gidari A, Souma M, Sabbatini S, Grifagni D, Bigiotti C
J Enzyme Inhib Med Chem. 2023; 38(1):2251721.
PMID: 37638806
PMC: 10464554.
DOI: 10.1080/14756366.2023.2251721.
AI-Aided Search for New HIV-1 Protease Ligands.
Arrigoni R, Santacroce L, Ballini A, Palese L
Biomolecules. 2023; 13(5).
PMID: 37238727
PMC: 10216636.
DOI: 10.3390/biom13050858.
Synthesis, Cytotoxic Evaluation, and Structure-Activity Relationship of Substituted Quinazolinones as Cyclin-Dependent Kinase 9 Inhibitors.
Alkahtani H, Zen A, Obaidullah A, Alanazi M, Almehizia A, Ansari S
Molecules. 2023; 28(1).
PMID: 36615314
PMC: 9822073.
DOI: 10.3390/molecules28010120.
Forces Driving a Magic Bullet to Its Target: Revisiting the Role of Thermodynamics in Drug Design, Development, and Optimization.
Minetti C, Remeta D
Life (Basel). 2022; 12(9).
PMID: 36143474
PMC: 9504344.
DOI: 10.3390/life12091438.
Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Goedken E, Argiriadi M, Dietrich J, Petros A, Krishnan N, Panchal S
Sci Rep. 2022; 12(1):14561.
PMID: 36028520
PMC: 9418147.
DOI: 10.1038/s41598-022-18760-1.
Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Iijima D, Sugama H, Awai N, Takahashi Y, Togashi Y, Takebe T
ACS Med Chem Lett. 2022; 13(8):1351-1357.
PMID: 35978678
PMC: 9377009.
DOI: 10.1021/acsmedchemlett.2c00280.
Drug Discovery of Plausible Lead Natural Compounds That Target the Insulin Signaling Pathway: Bioinformatics Approaches.
Shanak S, Bassalat N, Barghash A, Kadan S, Ardah M, Zaid H
Evid Based Complement Alternat Med. 2022; 2022:2832889.
PMID: 35356248
PMC: 8958086.
DOI: 10.1155/2022/2832889.
Synthesis of Aminoethyl-Substituted Piperidine Derivatives as σ Receptor Ligands with Antiproliferative Properties.
Holtschulte C, Borgel F, Westphalinger S, Schepmann D, Civenni G, Laurini E
ChemMedChem. 2022; 17(7):e202100735.
PMID: 35077612
PMC: 9303367.
DOI: 10.1002/cmdc.202100735.
A New Paradigm for KIM-PTP Drug Discovery: Identification of Allosteric Sites with Potential for Selective Inhibition Using Virtual Screening and LEI Analysis.
Adams J, Thornton B, Tabernero L
Int J Mol Sci. 2021; 22(22).
PMID: 34830087
PMC: 8624330.
DOI: 10.3390/ijms222212206.
Synthesis and biological evaluation of thiazolidinedione derivatives with high ligand efficiency to PhzS.
Froes T, Chaves B, Mendes M, Ximenes R, da Silva I, da Silva P
J Enzyme Inhib Med Chem. 2021; 36(1):1217-1229.
PMID: 34080514
PMC: 8186431.
DOI: 10.1080/14756366.2021.1931165.
Reckoning γ-Glutamyl-S-allylcysteine as a potential main protease (m) inhibitor of novel SARS-CoV-2 virus identified using docking and molecular dynamics simulation.
Parashar A, Shukla A, Sharma A, Behl T, Goswami D, Mehta V
Drug Dev Ind Pharm. 2021; 47(5):699-710.
PMID: 34038246
PMC: 8204316.
DOI: 10.1080/03639045.2021.1934857.
Target-Based Evaluation of "Drug-Like" Properties and Ligand Efficiencies.
Leeson P, Bento A, Gaulton A, Hersey A, Manners E, Radoux C
J Med Chem. 2021; 64(11):7210-7230.
PMID: 33983732
PMC: 7610969.
DOI: 10.1021/acs.jmedchem.1c00416.
Current Challenges and Opportunities in Designing Protein-Protein Interaction Targeted Drugs.
Shin W, Kumazawa K, Imai K, Hirokawa T, Kihara D
Adv Appl Bioinform Chem. 2020; 13:11-25.
PMID: 33209039
PMC: 7669531.
DOI: 10.2147/AABC.S235542.
Inhibition of Macrophage Migration Inhibitory Factor by a Chimera of Two Allosteric Binders.
Cirillo P, Asojo O, Khire U, Lee Y, Mootien S, Hegan P
ACS Med Chem Lett. 2020; 11(10):1843-1847.
PMID: 33062162
PMC: 7549106.
DOI: 10.1021/acsmedchemlett.9b00351.
