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Asymmetric Organocatalysis: A Survival Guide to Medicinal Chemists
Published 2022-12-01“…We aim to discuss the different activation modes observed for organocatalysts, examining, for each of them, the generally accepted mechanisms and the most important and developed reactions, that may be useful to medicinal chemists. For each of these types of organocatalytic activations, select examples from academic and industrial applications will be disclosed during the synthesis of drugs and natural products.…”
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Computational Drug Design – A Guide for Computational and Medicinal Chemists
Published 2011-05-01Get full text
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The Medicinal Chemist's Dream: Faster Design of Better and Safer Drug Candidates
Published 2005-06-01“…The guidelines proposed here to use the best validated tools in the most suitable order will help the medicinal chemist to approach his dream, namely to be faster in the design of better and safer drug candidates. …”
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ADME-Space: a new tool for medicinal chemists to explore ADME properties
Published 2017-07-01“…Thus, the ADME-Space opens a new framework for the multi-parametric data analysis in drug discovery where all ADME behaviours of molecules are condensed in one map: it allows medicinal chemists to simultaneously monitor several ADME properties, to rapidly select optimal ADME profiles, retrieve warning on potential ADME problems and DDIs or select proper in vitro experiments.…”
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3-Hydroxyazetidine carboxylic acids: non-proteinogenic amino acids for medicinal chemists.
Published 2013“…The long-term stability of 3-hydroxyazetidine amides is established at acidic and neutral pH and implies their value as non-proteinogenic amino acid components of peptides, providing medicinal chemists with a new class of peptide isosteres. …”
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Multi-target pharmacology: Possibilities and limitations of the skeleton key approach from a medicinal chemist perspective
Published 2015-09-01“…Prospective drug repositioning to treat comorbid conditions is an additional, overlooked application of multi-target ligands. While medicinal chemists usually rely on some version of the lock and key paradigm to design novel therapeutics, modern pharmacology has recognized that the long-term effects of a given drug on a biological system may depend not only on the specific ligand-target recognition events but also on the influence of the chronic administration of a drug on the cell gene signature. …”
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Inside the mind of a medicinal chemist: the role of human bias in compound prioritization during drug discovery.
Published 2012-01-01“…Medicinal chemists' "intuition" is critical for success in modern drug discovery. …”
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Glass box and black box machine learning approaches to exploit compositional descriptors of molecules in drug discovery and aid the medicinal chemist
Published 2024“…The synthetic medicinal chemist plays a vital role in drug discovery. …”
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Affiliation with Natural Products at KIB of Prof. Zhou Jun: On the Occasion of 80th Anniversary of Kunming Institute of Botany, CAS
Published 2018-07-01“…Zhou Jun, Academician of Chinese Academy of Sciences (1999), is a phytochemist and medicinal chemist of China. He is one of the pioneers of Kunming Institute of Botany, CAS and a major founder of the State Key Laboratory of Phytochemistry and Plant Resources in West China. …”
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Recent Advances in the Synthesis of Xanthines: A Short Review
Published 2022-01-01“…The data compiled in this review paper could help the medicinal chemist in designing new active compounds from the modification of the already existing compounds in the search for novel drug leads. …”
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Cyclic 1H-Phospolane Oxides as a Potential Candidate for Cancer Therapy
Published 2022-11-01“…Finkbeiner et al. has shown that phosphine oxides and related phosphorus-containing functional groups are valuable polar structural elements and that they deserve to be considered as a routine part of every medicinal chemist’s toolbox. A new approach to the synthesis of previously hard-to-obtain 3-alkyl-1H-phospholanes oxides was developed by us. …”
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Small molecules with antiviral activity against the Ebola virus [v1; ref status: indexed, http://f1000r.es/523]
Published 2015-02-01“…We have evaluated 55 molecules from the perspective of an experienced medicinal chemist as well as using simple molecular properties and have highlighted 16 compounds that have desirable qualities as well as those that may be less desirable. …”
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Defining desirable natural product derived anticancer drug space: optimization of molecular physicochemical properties and ADMET attributes
Published 2016-06-01“…As part of our endeavor to enhance survival of natural product derived drug candidates and to guide the medicinal chemist to design higher probability space for success in the anti cancer drug development area, we embarked on a detailed study of the property space for a collection of natural product derived anti cancer molecules. …”
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