170 related articles for article (PubMed ID: 36643455)
1. Quantum and Classical Evaluations of Carboxylic Acid Bioisosteres: From Capped Moieties to a Drug Molecule.
Osman AMA; Arabi AA
ACS Omega; 2023 Jan; 8(1):588-598. PubMed ID: 36643455
[TBL] [Abstract][Full Text] [Related]
2. Average Electron Density: A Quantitative Tool for Evaluating Non-Classical Bioisosteres of Amides.
Osman AM; Arabi AA
ACS Omega; 2024 Mar; 9(11):13172-13182. PubMed ID: 38524460
[TBL] [Abstract][Full Text] [Related]
3. Atomic and molecular properties of nonclassical bioisosteric replacements of the carboxylic acid group.
Arabi AA
Future Med Chem; 2020 Jun; 12(12):1111-1120. PubMed ID: 32400198
[No Abstract] [Full Text] [Related]
4. Routes to drug design via bioisosterism of carboxyl and sulfonamide groups.
Arabi AA
Future Med Chem; 2017 Dec; 9(18):2167-2180. PubMed ID: 29120240
[TBL] [Abstract][Full Text] [Related]
5. The bioisosteric similarity of the tetrazole and carboxylate anions: clues from the topologies of the electrostatic potential and of the electron density.
Matta CF; Arabi AA; Weaver DF
Eur J Med Chem; 2010 May; 45(5):1868-72. PubMed ID: 20133027
[TBL] [Abstract][Full Text] [Related]
6. Electrostatic potentials and average electron densities of bioisosteres in methylsquarate and acetic acid.
Arabi AA; Matta CF
Future Med Chem; 2016; 8(4):361-71. PubMed ID: 26976657
[TBL] [Abstract][Full Text] [Related]
7. Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization.
Langdon SR; Ertl P; Brown N
Mol Inform; 2010 May; 29(5):366-85. PubMed ID: 27463193
[TBL] [Abstract][Full Text] [Related]
8. Quantum Mechanical-Cluster Approach to Solve the Bioisosteric Replacement Problem in Drug Design.
Losev TV; Gerasimov IS; Panova MV; Lisov AA; Abdyusheva YR; Rusina PV; Zaletskaya E; Stroganov OV; Medvedev MG; Novikov FN
J Chem Inf Model; 2023 Feb; 63(4):1239-1248. PubMed ID: 36763797
[TBL] [Abstract][Full Text] [Related]
9. Pyrazoles as non-classical bioisosteres in prolylcarboxypeptidase (PrCP) inhibitors.
Graham TH; Shu M; Verras A; Chen Q; Garcia-Calvo M; Li X; Lisnock J; Tong X; Tung EC; Wiltsie J; Hale JJ; Pinto S; Shen DM
Bioorg Med Chem Lett; 2014 Apr; 24(7):1657-60. PubMed ID: 24636945
[TBL] [Abstract][Full Text] [Related]
10. Toward an ab initio fragment database for bioisosterism: dependence of QCT properties on level of theory, conformation, and chemical environment.
Devereux M; Popelier PL; McLay IM
J Comput Chem; 2009 Jun; 30(8):1300-18. PubMed ID: 19003976
[TBL] [Abstract][Full Text] [Related]
11. BioisoIdentifier: an online free tool to investigate local structural replacements from PDB.
Zhang T; Sun S; Wang R; Li T; Gan B; Zhang Y
J Cheminform; 2024 Jan; 16(1):7. PubMed ID: 38218937
[TBL] [Abstract][Full Text] [Related]
12. Bioisoteres for carboxylic acids: From ionized isosteres to novel unionized replacements.
Hall A; Chatzopoulou M; Frost J
Bioorg Med Chem; 2024 Apr; 104():117653. PubMed ID: 38579492
[TBL] [Abstract][Full Text] [Related]
13. Applications of fluorine to the construction of bioisosteric elements for the purposes of novel drug discovery.
Richardson P
Expert Opin Drug Discov; 2021 Nov; 16(11):1261-1286. PubMed ID: 34074189
[No Abstract] [Full Text] [Related]
14. Bioisosteric matrices for ligands of serotonin receptors.
Warszycki D; Mordalski S; StaroĊ J; Bojarski AJ
ChemMedChem; 2015 Apr; 10(4):601-5. PubMed ID: 25772514
[TBL] [Abstract][Full Text] [Related]
15. Bioisosteric similarity of molecules based on structural alignment and observed chemical replacements in drugs.
Krier M; Hutter MC
J Chem Inf Model; 2009 May; 49(5):1280-97. PubMed ID: 19402687
[TBL] [Abstract][Full Text] [Related]
16. MB-Isoster: A software for bioisosterism simulation.
Elias TC; de Oliveira HCB; da Silveira NJF
J Comput Chem; 2018 Nov; 39(29):2481-2487. PubMed ID: 30318630
[TBL] [Abstract][Full Text] [Related]
17. Bioisosteric Replacements Extracted from High-Quality Structures in the Protein Databank.
Seddon MP; Cosgrove DA; Gillet VJ
ChemMedChem; 2018 Mar; 13(6):607-613. PubMed ID: 29314719
[TBL] [Abstract][Full Text] [Related]
18. Synthesis and evaluation of druglike parameters via in silico techniques for a series of heterocyclic monosquarate-amide derivatives as potential carboxylic acid bioisosteres.
Long N; Le Gresley A; Wozniak A; Brough S; Wren SP
Bioorg Med Chem; 2024 Jan; 98():117565. PubMed ID: 38142561
[TBL] [Abstract][Full Text] [Related]
19. Exploring the other side of biologically relevant chemical space: insights into carboxylic, sulfonic and phosphonic acid bioisosteric relationships.
Macchiarulo A; Pellicciari R
J Mol Graph Model; 2007 Nov; 26(4):728-39. PubMed ID: 17544772
[TBL] [Abstract][Full Text] [Related]
20. sc-PDB-Frag: a database of protein-ligand interaction patterns for Bioisosteric replacements.
Desaphy J; Rognan D
J Chem Inf Model; 2014 Jul; 54(7):1908-18. PubMed ID: 24991975
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]