Keyword

lead compound identification

Description: Lead compound identification is a drug-discovery process that selects promising chemical compounds for further optimization against a biological target.

Primary topic: Computational Drug Discovery Methods (48%)

OpenAlex ID: keywords/lead-identification

Small-Molecule Library Screening by Docking with PyRx

2014 · Sargis Dallakyan, Arthur J. Olson · Methods in molecular biology · 4,054

Discovery and resupply of pharmacologically active plant-derived natural products: A review

2015 · Atanas G. Atanasov, Birgit Waltenberger, et al. · Biotechnology Advances · 2,918

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The re-emergence of natural products for drug discovery in the genomics era

2015 · Alan L. Harvey, RuAngelie Edrada-Ebel, et al. · Nature Reviews Drug Discovery · 2,577

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A Critical Assessment of Docking Programs and Scoring Functions

2005 · Gregory L. Warren, C. Webster Andrews, et al. · Journal of Medicinal Chemistry · 1,824

Identifying and Characterizing Binding Sites and Assessing Druggability

2009 · Thomas A. Halgren · Journal of Chemical Information and Modeling · 1,761

Some practical considerations and applications of the national cancer institute in vitro anticancer drug discovery screen

1995 · Michael R. Boyd, Kenneth D. Paull · Drug Development Research · 1,561

Three-Dimensional in Vitro Cell Culture Models in Drug Discovery and Drug Repositioning

2018 · Sigrid A. Langhans · Frontiers in Pharmacology · 1,517

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The Role of Natural Product Chemistry in Drug Discovery

2004 · Mark S. Butler · Journal of Natural Products · 1,380

In vivo drug discovery in the zebrafish

2005 · Leonard I. Zon, Randall T. Peterson · Nature Reviews Drug Discovery · 1,354

Diffusion NMR Spectroscopy in Supramolecular and Combinatorial Chemistry: An Old Parameter—New Insights

2004 · Yoram Cohen, Liat Avram, et al. · Angewandte Chemie International Edition · 1,123

The Current State of Peptide Drug Discovery: Back to the Future?

2017 · Antoine Henninot, James C. Collins, et al. · Journal of Medicinal Chemistry · 1,114

Antidiabetic plants and their active constituents

1995 · R.J. Marles, N.R. Farnsworth · Phytomedicine · 1,102

A decade of fragment-based drug design: strategic advances and lessons learned

2007 · Philip J. Hajduk, Jonathan Greer · Nature Reviews Drug Discovery · 1,066

“Multi-component Reactions : Emerging Chemistry in Drug Discovery” ‘From Xylocain to Crixivan’

2003 · Christopher Hulme, Vijay Gore · Current Medicinal Chemistry · 1,035

Thousands of chemical starting points for antimalarial lead identification

2010 · Francisco-Javier Gamo, Laura M. Sanz, et al. · Nature · 997

The Process of Structure-Based Drug Design

2003 · Amy C. Anderson · Chemistry & Biology · 941

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New Method for Fast and Accurate Binding‐site Identification and Analysis

2007 · Tom Halgren · Chemical Biology & Drug Design · 878

Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery

2001 · Michael M. Hann, Andrew R. Leach, et al. · Journal of Chemical Information and Computer Sciences · 877

TCM Database@Taiwan: The World's Largest Traditional Chinese Medicine Database for Drug Screening In Silico

2011 · Calvin Yu-Chian Chen · PLoS ONE · 807

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The Science of Antibiotic Discovery

2020 · Kim Lewis · Cell · 800

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A Structure-Based Drug Discovery Paradigm

2019 · Maria Batool, Bilal Ahmad, et al. · International Journal of Molecular Sciences · 744

The Organic Chemistry of Drug Design and Drug Action

1992 · Elsevier eBooks · 716

The Practice of Medicinal Chemistry

2003 · Elsevier eBooks · 702

Virtual screening with AutoDock: theory and practice

2010 · Sandro Cosconati, Stefano Forli, et al. · Expert Opinion on Drug Discovery · 695

Novel trends in high-throughput screening

2009 · Lorenz M Mayr, Dejan Bojanic · Current Opinion in Pharmacology · 695

Works count: 7,003

Citation count: 168,800