Kumar Singh Saikatendu

Takeda (United States) — United States

Medicine · Health Sciences

22h-index2.8kcitations63works4.82yr avg
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Research Topics

SARS-CoV-2 and COVID-19 Research(19), Computational Drug Discovery Methods(17), Protein Structure and Dynamics(10), PARP inhibition in cancer therapy(5), COVID-19 Clinical Research Studies(4)

Publications61 total

Discovery of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 Main Protease through Computer-Aided Drug Design
Journal of Medicinal Chemistry·2025· 1 citedOpen Access
Crystallographic characterisation and development of bi-substrate inhibitors of coronavirus nsp14 methyltransferase
2025· 1 citedOpen Access
Protein–ligand data at scale to support machine learning
Nature Reviews Chemistry·2025· 7 cited
Structural insights into the high basal activity and inverse agonism of the orphan receptor GPR6 implicated in Parkinson’s disease
Science Signaling·2024· 13 citedOpen Access
Antiviral target compound profile for pandemic preparedness
Nature Reviews Drug Discovery·2024· 3 citedOpen Access
Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity
Bioorganic & Medicinal Chemistry·2024· 4 citedOpen Access
Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors
ACS Infectious Diseases·2023· 21 citedOpen Access
Accelerating antiviral drug discovery: lessons from COVID-19
Nature Reviews Drug Discovery·2023· 168 citedOpen Access
Target 2035 – an update on private sector contributions
RSC Medicinal Chemistry·2023· 17 citedOpen Access
CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding
Nature Reviews Chemistry·2022· 89 citedOpen Access
Target 2035 – update on the quest for a probe for every protein
RSC Medicinal Chemistry·2021· 77 citedOpen Access
CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding
2021· 13 citedOpen Access
CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding
2021Open Access
CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding
Zenodo (CERN European Organization for Nuclear Research)·2021Open Access
Report of the National Institutes of Health SARS-CoV-2 Antiviral Therapeutics Summit
UNC Libraries·2021Open Access
Report of the National Institutes of Health SARS-CoV-2 Antiviral Therapeutics Summit
The Journal of Infectious Diseases·2021· 41 citedOpen Access
The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification
International Journal of Molecular Sciences·2021· 105 citedOpen Access
Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design
ACS Omega·2020· 3 citedOpen Access
hALK in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole
2020
hALK in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)cyclopropyl)methanamine
2020
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Frequent Co-authors

Raymond C. Stevens(12), Timothy M. Willson(12), Benjamin W. Neuman(10), Michael J. Buchmeier(10), Peter Kühn(8), Susanne Müller(8), Matthieu Schapira(8), C.H. Arrowsmith(8), Jeremiah S. Joseph(7), Vanitha Subramanian(7), David H. Drewry(7), Stefan Knapp(7), Suzanne Ackloo(7), A.M. Edwards(7), Matthew H. Todd(7), Kurt Wüthrich(6), Alison D. Axtman(6), Ulrich A. K. Betz(6), Kristina Edfeldt(6), Alexander Hillisch(6)