Peer-Reviewed Publications

External Pubmed Link

2025

Discovery and optimization of a novel carboxamide scaffold with selective antimalarial activity

Wagner, A.; Trombley, R.; Podgurski, M.; Ruberto, A.A.; Cui, M.; Cooper, C.A.; Long, W.E.; Nguyen, G.; Marin, A.A.; Mai, S.L.; Lombardo, F.; Maher, S.P.; Kyle, D.E.; Manetsch, R. Eur. J. Med. Chem.  2025.

2024

Efficient Biomimetic Total Synthesis, Characterization, and Antioxidant Activity of Ommatins

Huang, L.; Kim, T.; Armendarez, O.J.; Deravi, L.F.; Parvatkar, P.T.; Manetsch, R. JACS Au. 2024.

Chemoselective seleno-click amidation in kinetic target-guided synthesis

Huang, L.; Parvatkar, P.T.; Wagner, A.; Kulkarni, S.S.; Manetsch, R. Chem Comm. 2024.

Indoloquinoline Alkaloids as Antimalarials: Advances, Challenges, and Opportunities

Parvatkar, P.T.; Diagne, K.; Zhao, Y.; Manetsch, R. ChemMedChem. 2024.

Optimization of diastereomeric dihydropyridines as antimalarials

Kurt S. Van Horn, K.S.;  Yingzhao Zhao, Y.; Parvatkar, P.T.; Maier, J.; Mutka, T.; Lacrue, A.; Brockmeier, F.; Ebert, D.; Wu, W.; Casandra,D.R.; Namelikonda, N.; Yacoub, J.; Sigal, M.; Knapp, S.;  Floyd, D.; Waterson, D.;  Burrows, J.N.; Duffy, J.; DeRisi, J.L.; Kyle, D.E.; Guy, R.K.; Manetsch, R. Eur. J. Med. Chem. 2024.

The emergence of sulfo-click amidation in kinetic target-guided synthesis

Parvatkar, P.T.; Manetsch, R. Med. Chem. Res. 2024.

Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS

Hossain, M.A.; Sarin, R.; Donnelly, D.P.; Miller, B.C.; Weiss, A.; McAlary, L.; Antonyuk, S.V.; Salisbury, J.P.; Amin, J.; Conway, J.B.; Watson, S.S.; Winters, J.N.; Xu, Y.; Alam, N.; Brahme, R.R.; Shahbazian, H.;Sivasankar, D.; Padmakumar, S.; Sattarova, A; Ponmudiyan, A.C.; Gawde, T.; Verrill, D.; Yang, W.; Kannapadi, S.; Plant, L.D.; Auclair, J.R.; Makowski, L.; Petsko, G.A.; Ringe, D.; Agar, N.Y.R.; Greenblatt, D.J.; Ondrechen, M.J.; Chen, Y.; Yerbury, J.J.; Manetsch, R.; Hasnain, S.S.; Brown Jr., R.H.; Agar, J.N. PLoS Biol. 2024.

In Vitro Antimalarial Activity of Trichothecenes against Liver and Blood Stages of Plasmodium Species

Parvatkar, P.T.;  Maher, S.P.; Zhao, Y.; Cooper, C.A.; de Castro, S.T; Péneau, J.; Vantaux, A.; Witkowski, B.; Kyle, D.E.; Manetsch, R. J. Nat. Prod. 2024.

2023

Shotgun Kinetic Target-Guided Synthesis Approach Enables the Discovery of Small-Molecule Inhibitors against Pathogenic Free-Living Amoeba Glucokinases

Kassu, M., Parvatkar, P.T., Milanes, J., Monaghan, N.P., Kim, C., Dowgiallo, M., Zhao, Y., Asakawa, A.H., Huang, L., Wagner, A., Miller, B., Carter, K., Barrett, K.F., Tillery, L.M., Barrett, L.K., Phan, I.Q., Subramanian, S., Myler, P.J., Van Voorhis, W.C., Leahy, J.W., Rice, C.A., Kyle, D.E., Morris, J., Manetsch, R. ACS Infect. Dis. 2023.

Biocompatible reactions: advances in kinetic target-guided synthesis

Parvatkar, P., Wagner, A., Manetsch, R. Trends Chem. 2023.

Design and synthesis of aminopyridine containing biaryls reducing c-MYC protein levels in cells

Di Marco, C., Terrel, L., Sanchez, R., Rueda, L., Shuster, L., Nartey, E., McHugh, C., Mack, J., Shu, A., Tian, X., Medina, J., Rivero, R., Manetsch, R., Heerding, D., Mangaat, B. Bioorganic Med. Chem. Lett. 2023.

Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gramnegative bacteria that interacts with the 30S subunit of the 70S ribosome 

Morgan, C.; Kang, Y.; Green, A.; Smith, K.; Dowgiallo, M.; Miller, B.; Chiaraviglio, L.; Truelson, K.; Zulauf, K.; Rodriguez, S.; Kang, A.; Manetsch, R.; Yu, E.; Kirby, J. PLoS Biol. 2023. 

Going beyond Binary: Rapid Identification of Protein–Protein Interaction Modulators Using a Multifragment Kinetic Target-Guided Synthesis Approach 

Nacheva, K.; Kulkarni, S.; Kassu, M.; Flanigan, D.; Monastyrskyi, A.; Iyamu, I.; Doi, K.; Barber, M.; Namelikonda, N.; Tipton, J.; Parvatkar, P.; Wang, H.; Manetsch, R. J. Med. Chem. 2023.

2022

The convergent total synthesis and antibacterial profile of the natural product streptothricin f.

Dowgiallo, M.; Miller, B.; Kassu, M.; Smith, K. P.; Fetigan, A.; Guo, J.; Kirby, J.; Manetsch, R. Chem. Sci. 2022. 

Structure-activity and structure-property relationship studies of spirocyclic chromanes with antimalarial activity.

Iyamu, I. D.; Zhao, Y.; Parvatkar, P. T.; Roberts, B. F.; Casandra, D. R.; Wojtas, L.; Kyle, D. E.; Chakrabarti, D.; Manetsch, R. Bioorg. Med. Chem. 2022.

2021

Total Synthesis of (±)-Decursivine via BINOL-Phosphoric Acid Catalyzed Tandem

Oxidative Cyclization. 

Parvatkar, P. T.; Smotkin, E. S.; Manetsch, R. Sci Rep 2021.

Pyrazole‐Thiazole core‐containing analogs exhibit adjunctive activity with meropenem against carbapenem‐resistant enterobacteriaceae (CRE).

Kim, C.; Kassu, M.; Smith, K. P.; Kirby, J. E.; Manetsch, R. ChemMedChem 2021.

Aminoalkoxycarbonyloxymethyl ether prodrugs with a ph-triggered release mechanism: a case study improving the solubility, bioavailability, and efficacy of antimalarial 4(1H)-quinolones with single dose cures.

Monastyrskyi, A.; Brockmeyer, F.; LaCrue, A. N.; Zhao, Y.; Maher, S. P.; Maignan, J. R.; Padin-Irizarry, V.; Sakhno, Y. I.; Parvatkar, P. T.; Asakawa, A. H.; Huang, L.; Casandra, D.; Mashkouri, S.; Kyle, D. E.; Manetsch, R. J. Med. Chem. 2021.

A comprehensive review of 4(1H)-quinolones and 4(1H)-pyridones for the development of an effective antimalarial.

Asakawa, A. H.; Manetsch, R. In Plasmodium Species and Drug Resistance [Working Title]; IntechOpen, 2021; Vol. 4, pp 1–30.

Synthesis of mono- and bisperoxide-bridged artemisinin dimers to elucidate the contribution of dimerization to antimalarial activity.

Lichorowic, C. L.; Zhao, Y.; Maher, S. P.; Padín-Irizarry, V.; Mendiola, V. C.; de Castro, S. T.; Worden, J. A.; Casandra, D.; Kyle, D. E.; Manetsch, R. ACS Infect. Dis. 2021.

Naegleria fowleri: protein structures to facilitate drug discovery for the deadly, pathogenic free-living amoeba. 

Tillery, L.; Barrett, K.; Goldstein, J.; Lassner, J. W.; Osterhout, B.; Tran, N. L.; Xu, L.; Young, R. M.; Craig, J.; Chun, I.; Dranow, D. M.; Abendroth, J.; Delker, S. L.; Davies, D. R.; Mayclin, S. J.; Calhoun, B.; Bolejack, M. J.; Staker, B.; Subramanian, S.; Phan, I.; Lorimer, D, D.; Peter, J. M.; Edwards, T. E.; Kyle, D. E.; Rice, C. A.; Morris, J. C.; Leahy, J. W.; Manetsch, R.; Barrett, L. K.; Smith, C. L.; Van Voorhis, W. C. PLoS One 2021, 16 (3 March), 1–19.

Cyclic thiosulfinates as a novel class of disulfide cleavable cross-linkers for rapid hydrogel synthesis.

Aluri, K. C.; Hossain, M. A.; Kanetkar, N.; Miller, B. C.; Dowgiallo, M. G.; Sivasankar, D.; Sullivan, M. R.; Manetsch, R.; Konry, T.; Ekenseair, A.; Agar, J. N. Bioconjug. Chem. 2021, 32 (3), 584–594.

Photoaffinity labeled unnatural amino acid crosslinking stabilizes a trans-signaling conformation between the d2-5ht2a receptor heteromer. 

Winn, B. T.; Kim, C.; Cui, M.; Manetsch, R.; Logothetis, D. E. Biophys. J. 2021, 120 (3), 327a.

2020

Unnatural amino acid receptor incorporation as a novel photoaffinity tool for gpcr heteromer signaling studies.

Winn, B. T.; Kim, C.; Cui, M.; Manetsch, R.; Logothetis, D. E. Biophys. J. 2020, 118 (3), 95a-96a.

New strategies and structural considerations in development of therapeutics for carbapenem-resistant enterobacteriaceae.

Brennan-Krohn, T.; Manetsch, R.; O’Doherty, G. A.; Kirby, J. E. Transl. Res. 2020, 220, 14–32.

2019

A Whole-Cell Screen for Adjunctive and Direct Antimicrobials Active Against Carbapenem-Resistant Enterobacteriaceae. 

Smith; K P; Dowgiallo, M D; Chiaraviglio, L; Parvatkar, P; Kim, C; Manetsch, R; Kirby, J E. SLAS Discov. 2019, 24 (8), 842-853.

2018

Metal-Free Cross-Dehydrogenative Coupling (CDC): Molecular Iodine as a Versatile Catalyst/Reagent for CDC Reactions.

Parvatkar, P. T.; Manetsch, R.; Banik, B. K. Chem. - An Asian J. 2018, No. Cdc, 1–26.

Cyclic Thiosulfinates and Cyclic Disulfides Selectively Cross-Link Thiols While Avoiding Modification of Lone Thiols.

Donnelly, D. P.; Dowgiallo, M. G.; Salisbury, J. P.; Aluri, K. C.; Iyengar, S.; Chaudhari, M.; Mathew, M.; Miele, I.; Auclair, J. R.; Lopez, S. A.; Manetsch, R.; Agar, J. N. J. Am. Chem. Soc. 2018, 140 (24), 7377–7380.

Design and Synthesis of Orally Bioavailable Piperazine Substituted 4(1H)-Quinolones with Potent Antimalarial Activity: Structure-Activity and Structure-Property Relationship Studies.

Neelarapu, R.; Maignan, J. R.; Lichorowic, C. L.; Monastyrskyi, A.; Mutka, T. S.; LaCrue, A. N.; Blake, L. D.; Casandra, D.; Mashkouri, S.; Burrows, J. N.; Willis, P. A.; Kyle, D. E.; Manetsch, R. J. Med. Chem. 2018, 61 (4), 1450–1473.

2017

Synthesis, characterization, and cellular localization of a fluorescent probe of the antimalarial 8-aminoquinoline primaquine.

McQueen, A.; Blake, L. D.; Azhari, A.; Kemp, M. T.; McGaha, T. W.; Namelikonda, N.; Larsen, R. W.; Manetsch, R.; Kyle, D. E. Bioorg. Med. Chem. Lett. 2017, 27 (20), 4597–4600.

Menoctone Resistance in Malaria Parasites Is Conferred by M133I Mutations in Cytochrome b That Are Transmissible through Mosquitoes.

Blake, L. D.; Johnson, M. E.; Siegel, S. V.; McQueen, A.; Iyamu, I. D.; Shaikh, A. K.; Shultis, M. W.; Manetsch, R.; Kyle, D. E. Antimicrob. Agents Chemother. 2017, 61 (8), 1–13.

Progress in the Optimization of 4(1H)-Quinolone Derivatives as Antimalarials Targeting the Erythrocytic, the Exoerythrocytic and the Transmitting Stages of the Malaria Parasite.

Brockmeyer, F.; Manetsch, R. Chim. Int. J. Chem. 2017, 71 (4), 213–219.

Characterizing the Antimicrobial Activity of N2,N4-Disubstituted Quinazoline-2,4-Diamines toward Multidrug-Resistant Acinetobacter baumannii.

Fleeman, R.; Van Horn, K. S.; Barber, M. M.; Burda, W. N.; Flanigan, D. L.; Manetsch, R.; Shaw, L. N. Antimicrob. Agents Chemother. 2017, 61 (6), 1–11.

2016

ICI 56,780 Optimization: Structure-Activity Relationship Studies of 7-(2-Phenoxyethoxy)-4(1H)-quinolones with Antimalarial Activity.

Maignan, J. R.; Lichorowic, C. L.; Giarrusso, J.; Blake, L. D.; Casandra, D.; Mutka, T. S.; LaCrue, A. N.; Burrows, J. N.; Willis, P. A.; Kyle, D. E.; Manetsch, R. J. Med. Chem. 2016, 59 (14), 6943–6960.

Spirocyclic chromanes exhibit antiplasmodial activities and inhibit all intraerythrocytic life cycle stages

Roberts, B. F.; Iyamu, I. D.; Lee, S.; Lee, E.; Ayong, L.; Kyle, D. E.; Yuan, Y.; Manetsch, R.; Chakrabarti, D. Int. J. Parasitol. Drugs Drug Resist. 2016, 6, 85–92.

3-Trifluoromethyl-3-aryldiazirine photolabels with enhanced ambient light stability 

Kumar, A. B.; Tipton, J. D.; Manetsch, R.  Chem. Commun. 2016, 52, 2729-2732.

2015

SAR refinement of antileishmanial N2,N4-disubstituted quinazoline-2,4-diamines

Zhu, X.; Van Horn, K. S.; Barber, M. M.; Yang, S.; Wang, M. Z.; Manetsch, R.; Werbovetz, K. A. Bioorg. Med. Chem. 2015, 23, 5182–5189.

Metal-Free Arylation of Ethyl Acetoacetate with Hypervalent Diaryliodonium Salts: An Immediate Access to Diverse 3-Aryl-4(1   H )-Quinolones

Monastyrskyi, A.; Namelikonda, N. K.; Manetsch, R.  J. Org. Chem. 2015, 4, 2513–2520.

Synthesis and Evaluation of a Novel Adenosine-Ribose Probe for Global-Scale Profiling of Nucleoside and Nucleotide-Binding Proteins

Mahajan, S.; Manetsch, R.; Merkler, D. J.; Stevens Jr., S. M.  PLoS One 2015, 10, 1–17.

2014

Orally bioavailable 6-chloro-7-methoxy-4(1H)-quinolones efficacious against multiple stages of Plasmodium

Cross, R. M.; Flanigan, D. L.; Monastyrskyi, A.; LaCrue, A. N.; Sáenz, F. E.; Maignan, J. R.; Mutka, T. S.; White, K. L.; Shackleford, D. M.; Bathurst, I.; et al.  J. Med. Chem. 2014, 57, 8860–8879.

4(1H)-Pyridone and 4(1H)-Quinolone Derivatives as Antimalarials with Erythrocytic, Exoerythrocytic, and Transmission Blocking Activities (Review)

Monastyrskyi, A.; Kyle, D. E.; Manetsch, R. Curr Top Med Chem, 2014; 1693-1705.

In silico characterization of an atypical MAPK phosphatase of Plasmodium falciparum as a suitable target for drug discovery

Campbell, C. O.; Santiago, D. N.; Guida, W. C.; Manetsch, R.; Adams, J. H.  Chem. Biol. Drug Des. 2014, 84, 158–168.

Regioselective O 2′, O 3′-Deacetylations of Peracetylated Ribonucleosides by Using Tetra- n -butylammonium Fluoride

Kumar, A. B.; Manetsch, R.  European J. Org. Chem. 2014, 3551–3555.

Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines

Van Horn, K. S.; Burda, W. N.; Fleeman, R.; Shaw, L. N.; Manetsch, R.  J. Med. Chem. 2014, 57, 3075–3093.

Antileishmanial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines

Van Horn, K. S.; Zhu, X.; Pandharkar, T.; Yang, S.; Vesely, B.; Vanaerschot, M.; Dujardin, J.-C.; Rijal, S.; Kyle, D. E.; Wang, M. Z.; et al.  J. Med. Chem. 2014, 57, 5141–5156.

2013

4-(1H)-Quinolones and 1,2,3,4-Tetrahydroacridin-9(10H)-ones prevent the transmission of Plasmodium falciparum to Anopheles freeborni

Sáenz, F. E.; Lacrue, A. N.; Cross, R. M.; Maignan, J. R.; Udenze, K. O.; Manetsch, R.; Kyle, D. E.  Antimicrob. Agents Chemother. 2013, 57, 6187–6195.

Quinolone-3-diarylethers: A new class of drugs for a new era of malaria eradication

Nilsen, A.; LaCrue, A.; White, K. L.; Forquer, I. P.; Cross, R. M.; Marfurt, J.; Mather, M. W.; Delves, M. J.; Shackleford, D. M.; Saenz, F. E.; Morrisey, J. M.; Steuten, J.; Mutka, T.; Li, Y.; Wirjanata, G.; Ryan, E.; Duffy, S.; Kelly, J. X.; Sebayang, B. F.; Zeeman, A-M.; Noviyanti, R.; Sinden, R. E.; Kocken, C. H. M.; Price, R. N.; Avery, V. M.; Angulo-Barturen, I.; Jiménez-Díaz, M. B.; Ferrer, S.; Herreros, E.; Sanz, L. M.; Benito, F. J. G.; Bathurst, I.; Burrows, J.; Siegl, P.; Guy, R. K.; Winter, R. W.; Vaidya, A. B.; Charman, S. A.; Kyle, D. E.; Manetsch, R.; Riscoe, M. K.  Sci Transl Med, 2013, 5, 177.

A simple base-mediated amidation of aldehydes with azides

Kulkarni, S. S.; Hu, X.; Manetsch, R.  Chem. Commun. (Camb). 2013, 49, 1193–1195.

4(1H)-Quinolones with liver stage activity against Plasmodium berghei

Lacrue, A. N.; Sáenz, F. E.; Cross, R. M.; Udenze, K. O.; Monastyrskyi, A.; Stein, S.; Mutka, T. S.; Manetsch, R.; Kyle, D. E.  Antimicrob. Agents Chemother. 2013, 57, 417–424.

2012

Fluorescent properties and resonance energy transfer of 3,4-bis(2,4-difluorophenyl)-maleimide

Nacheva, K. P.; Maza, W. a; Myers, D. Z.; Fronczek, F. R.; Larsen, R. W.; Manetsch, R.  Org. Biomol. Chem. 2012, 10, 7840–7846.

Synthesis and structure-activity relationship studies of 1,3-disubstituted 2-propanols as BACE-1 inhibitors

Kumar, A. B.; Anderson, J. M.; Melendez, A. L.; Manetsch, R.  Bioorg. Med. Chem. Lett. 2012, 22, 4740–4744.

Sulfo-click reaction via in situ generated thioacids and its application in kinetic target-guided synthesis

Namelikonda, N. K.; Manetsch, R.  Chem. Commun. (Camb). 2012, 48, 1526–1528.

2011

Synthesis, antimalarial activity, and structure-activity relationship of 7-(2-phenoxyethoxy)-4(1H)-quinolones

Cross, R. M.; Namelikonda, N. K.; Mutka, T. S.; Luong, L.; Kyle, D. E.; Manetsch, R.; Monastyrskyi, A.; Burrows, J. N.  J. Med. Chem. 2011, 54, 8321–8327.

Design, synthesis and photoactivation studies of fluorous photolabels

Kumar, A. B.; Anderson, J. M.; Manetsch, R.  Org. Biomol. Chem. 2011, 9, 6284–6292.

Screening of protein-protein interaction modulators via sulfo-click kinetic target-guided synthesis

Kulkarni, S. S.; Hu, X.; Doi, K.; Wang, H.-G.; Manetsch, R.  ACS Chem. Biol. 2011, 6, 724–732.

Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships

Cross, R. M.; Maignan, J. R.; Mutka, T. S.; Luong, L.; Sargent, J.; Kyle, D. E.; Manetsch, R.  J. Med. Chem. 2011, 54, 4399–4426. 

2010

Divergent route to access structurally diverse 4-quinolones via mono or sequential cross-couplings

Cross, R. M.; Manetsch, R.  J. Org. Chem. 2010, 75, 8654–8657.

Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity

Cross, R. M.; Monastyrskyi, A.; Mutka, T. S.; Burrows, J. N.; Kyle, D. E.; Manetsch, R.  J. Med. Chem. 2010, 53, 7076–7094.

Kinetic target-guided synthesis

Hu, X.; Manetsch, R.  Chem. Soc. Rev. 2010, 39, 1316–1324.

2008

Probing gorge dimensions of cholinesterases by freeze-frame click chemistry

Radić, Z.; Manetsch, R.; Fournier, D.; Sharpless, K. B.; Taylor, P. Chem. Biol. Interact. 2008, 175, 161–165.

Bcl-XL-templated assembly of its own protein-protein interaction modulator from fragments decorated with thio acids and sulfonyl azides

Hu, X.; Sun, J.; Wang, H.; Manetsch, R.  J. Am. Chem. Soc. 2008, 130, 13820–13821.

2006

In situ click chemistry: A powerful means for lead discovery (Review)

Sharpless, B.; Manetsch, R.  Expert Opinion on Drug Discovery 2006; 1: 525-538.

2005

Molecular basis of interactions of cholinesterases with tight binding inhibitors

Radić, Z.; Manetsch, R.; Krasiński, A.; Raushel, J.; Yamauchi, J.; Garcia, C.; Kolb, H.; Sharpless, K. B.; Taylor, P.  Chem. Biol. Interact. 2005, 157-158, 133–141.

Mechanistic study of proton transfer and hysteresis in catalytic antibody 16E7 by site-directed mutagenesis and homology modeling

Zheng, L.; Manetsch, R.; Woggon, W.-D.; Baumann, U.; Reymond, J.-L.  Bioorg. Med. Chem. 2005, 13, 1021–1029.

In situ selection of lead compounds by click chemistry: target-guided optimization of acetylcholinesterase inhibitors

Krasiński, A.; Radić, Z.; Manetsch, R.; Raushel, J.; Taylor, P.; Sharpless, K. B.; Kolb, H. C.  J. Am. Chem. Soc. 2005, 127, 6686–6692.

2004

A catalytic antibody against a tocopherol cyclase inhibitor

Manetsch, R.; Zheng, L.; Reymond, M. T.; Woggon, W.-D.; Reymond, J.-L. Chemistry 2004, 10, 2487–2506.

In situ click chemistry: enzyme inhibitors made to their own  specifications

Manetsch, R.; Krasiński, A.; Radić, Z.; Raushel, J.; Taylor, P.; Sharpless, K. B.; Kolb, H. C. J. Am. Chem. Soc. 2004, 126, 12809–12818 .