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Page 1
Going further than Lipinski's rule in drug design.
Walters WP. Walters WP. Expert Opin Drug Discov. 2012 Feb;7(2):99-107. doi: 10.1517/17460441.2012.648612. Epub 2012 Jan 13. Expert Opin Drug Discov. 2012. PMID: 22468912 Review.
INTRODUCTION: Lipinski's 1997 publication of the 'Rule of 5' (Ro5) was one of the most influential recent medicinal chemistry publications. ...The article also provides the reader with suggestions on future directions for the field. EXPERT OPINION: While Lipinski …
INTRODUCTION: Lipinski's 1997 publication of the 'Rule of 5' (Ro5) was one of the most influential recent medicinal chemistry …
Eyes on Lipinski's Rule of Five: A New "Rule of Thumb" for Physicochemical Design Space of Ophthalmic Drugs.
Karami TK, Hailu S, Feng S, Graham R, Gukasyan HJ. Karami TK, et al. J Ocul Pharmacol Ther. 2022 Jan-Feb;38(1):43-55. doi: 10.1089/jop.2021.0069. Epub 2021 Dec 14. J Ocul Pharmacol Ther. 2022. PMID: 34905402 Free PMC article.
Unlike the methodology used to obtain molecular descriptors for assessment of drug-like properties by Lipinski's Rule of 5 (Ro5), this work presents a retrospective approach based on in silico analysis of molecular thermodynamic properties beyond Ro5 parameters (ie, …
Unlike the methodology used to obtain molecular descriptors for assessment of drug-like properties by Lipinski's Rule of 5 (Ro …
Acid-mediated Lipinski's second rule: application to drug design and targeting in cancer.
Omran Z, Rauch C. Omran Z, et al. Eur Biophys J. 2014 May;43(4-5):199-206. doi: 10.1007/s00249-014-0953-1. Epub 2014 Apr 1. Eur Biophys J. 2014. PMID: 24687685 Free PMC article. Review.
Fifteen years ago, in a completely different field in which improving drug delivery is the objective, the bioavailability of oral compounds, Christopher Lipinski formulated some rules that are still used by the pharmaceutical industry as rules of thumb to improve drug deli …
Fifteen years ago, in a completely different field in which improving drug delivery is the objective, the bioavailability of oral compounds, …
Toward a mechanical control of drug delivery. On the relationship between Lipinski's 2nd rule and cytosolic pH changes in doxorubicin resistance levels in cancer cells: a comparison to published data.
Rauch C. Rauch C. Eur Biophys J. 2009 Sep;38(7):829-46. doi: 10.1007/s00249-009-0429-x. Epub 2009 Mar 19. Eur Biophys J. 2009. PMID: 19296096 Review.
In the former area, it is well known that to achieve a reasonable bioavailability, drugs must have-among other properties-a molecular weight less than 500, known as Lipinski's 2nd rule. Accordingly, it is worth questioning whether a similar rule exists in the field …
In the former area, it is well known that to achieve a reasonable bioavailability, drugs must have-among other properties-a molecular weight …
Analysis of the Physicochemical Properties of Acaricides Based on Lipinski's Rule of Five.
Chen X, Li H, Tian L, Li Q, Luo J, Zhang Y. Chen X, et al. J Comput Biol. 2020 Sep;27(9):1397-1406. doi: 10.1089/cmb.2019.0323. Epub 2020 Feb 7. J Comput Biol. 2020. PMID: 32031890
This study aimed to explore the similarity between the physical and chemical properties of different acaricides, determine whether Lipinski's Rule of Five (RO5) used in the design of drug molecules is suitable for screening acaricides, and provide methods for select …
This study aimed to explore the similarity between the physical and chemical properties of different acaricides, determine whether Lipins …
Virtual screening of acetylcholinesterase inhibitors using the Lipinski's rule of five and ZINC databank.
Nogara PA, Saraiva Rde A, Caeran Bueno D, Lissner LJ, Lenz Dalla Corte C, Braga MM, Rosemberg DB, Rocha JB. Nogara PA, et al. Biomed Res Int. 2015;2015:870389. doi: 10.1155/2015/870389. Epub 2015 Jan 22. Biomed Res Int. 2015. PMID: 25685814 Free PMC article.
In this study, we used the ZINC databank and the Lipinski's rule of five to perform a virtual screening and a molecular docking (using Auto Dock Vina 1.1.1) aiming to select possible compounds that have quaternary ammonium atom able to inhibit acetylcholinesterase ( …
In this study, we used the ZINC databank and the Lipinski's rule of five to perform a virtual screening and a molecular dockin …
Application of descriptors based on Lipinski's rules in the QSPR study of aqueous solubilities.
Duchowicz PR, Talevi A, Bellera C, Bruno-Blanch LE, Castro EA. Duchowicz PR, et al. Bioorg Med Chem. 2007 Jun 1;15(11):3711-9. doi: 10.1016/j.bmc.2007.03.044. Epub 2007 Mar 18. Bioorg Med Chem. 2007. PMID: 17418580
We complement new physically interpretable descriptors inspired by the Lipinski's rules of drug bioavailability with others obtained from the Dragon 3.0 software, in order to find the best QSPR relationship for aqueous solubilities of 100 structurally heterogeneous …
We complement new physically interpretable descriptors inspired by the Lipinski's rules of drug bioavailability with others ob …
Cu-mediated synthesis of differentially substituted diazepines as AChE inhibitors; validation through molecular docking and Lipinski's filter to develop novel anti-neurodegenerative drugs.
Sudhapriya N, Manikandan A, Kumar MR, Perumal PT. Sudhapriya N, et al. Bioorg Med Chem Lett. 2019 Jun 1;29(11):1308-1312. doi: 10.1016/j.bmcl.2019.04.002. Epub 2019 Apr 3. Bioorg Med Chem Lett. 2019. PMID: 30956014
Druggability of these compounds also evaluated through Lipinski's filter and other ADMET tools for the betterment of selective execution of in vitro and in vivo activities of the screened compounds cautiously....
Druggability of these compounds also evaluated through Lipinski's filter and other ADMET tools for the betterment of selective …
4,501 results