Structure-Based Design of Biologically Active Compounds

doi:10.3390/molecules25143115

Editorial

. 2020 Jul 8;25(14):3115.

doi: 10.3390/molecules25143115.

Structure-Based Design of Biologically Active Compounds

Sandra Gemma¹

Affiliations

PMID: 32650470
PMCID: PMC7397263
DOI: 10.3390/molecules25143115

Editorial

Structure-Based Design of Biologically Active Compounds

Sandra Gemma. Molecules. 2020.

. 2020 Jul 8;25(14):3115.

doi: 10.3390/molecules25143115.

Author

Sandra Gemma¹

Affiliation

¹ Department of Biotechnology, Chemistry and Pharmacy, University of Siena, via Aldo Moro 2, 53100 Siena, Italy.

PMID: 32650470
PMCID: PMC7397263
DOI: 10.3390/molecules25143115

Abstract

The past decades have witnessed tremendous progress in the detailed structural knowledge of proteins as potential or validated drug targets and the discovery of new drugs based on this wealth of knowledge progressed in parallel [...].

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Cited by

Structure based Drug Designing Approaches in SARS-CoV-2 Spike Inhibitor Design.
Shanmugam A, Venkattappan A, Gromiha MM. Shanmugam A, et al. Curr Top Med Chem. 2022;22(29):2396-2409. doi: 10.2174/1568026623666221103091658. Curr Top Med Chem. 2022. PMID: 36330617 Review.

References

1. Al-Warhi T., El Kerdawy A.M., Aljaeed N., Ismael O.E., Ayyad R.R., Eldehna W.M., Abdel-Aziz H.A., Al-Ansary G.H. Synthesis, Biological Evaluation and In Silico Studies of Certain Oxindole-Indole Conjugates as Anticancer CDK Inhibitors. Molecules. 2020;25:2031. doi: 10.3390/molecules25092031. - DOI - PMC - PubMed
1. Ziemska J., Solecka J., Jaronczyk M. In Silico Screening for Novel Leucine Aminopeptidase Inhibitors with 3,4-Dihydroisoquinoline Scaffold. Molecules. 2020;25:1754. doi: 10.3390/molecules25071753. - DOI - PMC - PubMed
1. Khan M.H., Cai M., Deng J., Yu P., Liang H., Yang F. Anticancer Function and ROS-Mediated Multi-Targeting Anticancer Mechanisms of Copper (II) 2-hydroxy-1-naphthaldehyde Complexes. Molecules. 2019;24:2544. doi: 10.3390/molecules24142544. - DOI - PMC - PubMed
1. Londhe A.M., Gadhe C.G., Lim S.M., Pae A.N. Investigation of Molecular Details of Keap1-Nrf2 Inhibitors Using Molecular Dynamics and Umbrella Sampling Techniques. Molecules. 2019;24:4085. doi: 10.3390/molecules24224085. - DOI - PMC - PubMed
1. Lee M.H., Lee D.Y., Balupuri A., Jeong J.W., Kang N.S. Pharmacophoric Site Identification and Inhibitor Design for Autotaxin. Molecules. 2019;24:2808. doi: 10.3390/molecules24152808. - DOI - PMC - PubMed

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[1] Al-Warhi T., El Kerdawy A.M., Aljaeed N., Ismael O.E., Ayyad R.R., Eldehna W.M., Abdel-Aziz H.A., Al-Ansary G.H. Synthesis, Biological Evaluation and In Silico Studies of Certain Oxindole-Indole Conjugates as Anticancer CDK Inhibitors. Molecules. 2020;25:2031. doi: 10.3390/molecules25092031. - DOI - PMC - PubMed

[2] Al-Warhi T., El Kerdawy A.M., Aljaeed N., Ismael O.E., Ayyad R.R., Eldehna W.M., Abdel-Aziz H.A., Al-Ansary G.H. Synthesis, Biological Evaluation and In Silico Studies of Certain Oxindole-Indole Conjugates as Anticancer CDK Inhibitors. Molecules. 2020;25:2031. doi: 10.3390/molecules25092031. - DOI - PMC - PubMed

[3] Ziemska J., Solecka J., Jaronczyk M. In Silico Screening for Novel Leucine Aminopeptidase Inhibitors with 3,4-Dihydroisoquinoline Scaffold. Molecules. 2020;25:1754. doi: 10.3390/molecules25071753. - DOI - PMC - PubMed

[4] Ziemska J., Solecka J., Jaronczyk M. In Silico Screening for Novel Leucine Aminopeptidase Inhibitors with 3,4-Dihydroisoquinoline Scaffold. Molecules. 2020;25:1754. doi: 10.3390/molecules25071753. - DOI - PMC - PubMed

[5] Khan M.H., Cai M., Deng J., Yu P., Liang H., Yang F. Anticancer Function and ROS-Mediated Multi-Targeting Anticancer Mechanisms of Copper (II) 2-hydroxy-1-naphthaldehyde Complexes. Molecules. 2019;24:2544. doi: 10.3390/molecules24142544. - DOI - PMC - PubMed

[6] Khan M.H., Cai M., Deng J., Yu P., Liang H., Yang F. Anticancer Function and ROS-Mediated Multi-Targeting Anticancer Mechanisms of Copper (II) 2-hydroxy-1-naphthaldehyde Complexes. Molecules. 2019;24:2544. doi: 10.3390/molecules24142544. - DOI - PMC - PubMed

[7] Londhe A.M., Gadhe C.G., Lim S.M., Pae A.N. Investigation of Molecular Details of Keap1-Nrf2 Inhibitors Using Molecular Dynamics and Umbrella Sampling Techniques. Molecules. 2019;24:4085. doi: 10.3390/molecules24224085. - DOI - PMC - PubMed

[8] Londhe A.M., Gadhe C.G., Lim S.M., Pae A.N. Investigation of Molecular Details of Keap1-Nrf2 Inhibitors Using Molecular Dynamics and Umbrella Sampling Techniques. Molecules. 2019;24:4085. doi: 10.3390/molecules24224085. - DOI - PMC - PubMed

[9] Lee M.H., Lee D.Y., Balupuri A., Jeong J.W., Kang N.S. Pharmacophoric Site Identification and Inhibitor Design for Autotaxin. Molecules. 2019;24:2808. doi: 10.3390/molecules24152808. - DOI - PMC - PubMed

[10] Lee M.H., Lee D.Y., Balupuri A., Jeong J.W., Kang N.S. Pharmacophoric Site Identification and Inhibitor Design for Autotaxin. Molecules. 2019;24:2808. doi: 10.3390/molecules24152808. - DOI - PMC - PubMed

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Structure-Based Design of Biologically Active Compounds

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Structure-Based Design of Biologically Active Compounds

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