Abstract
Target identification is one of the most important bases for novel pesticide development; pyruvate kinase (PK) was discovered as a potent fungicide target in our previous studies. To continue the PK-based fungicide development, novel isothiazole-purine derivatives were rationally designed and synthesized. Bioassay results showed that compound 5ai displayed excellent in vitro activity against Rhizoctonia solani with an EC50 of 1.5 μg/mL, which was superior to those of positive controls diflumetorim with its EC50 of 19.8 μg/mL and PK-based lead YZK-C22 with its EC50 of 4.2 μg/mL. Compounds 3b (5.2 μg/mL) and 3c (4.5 μg/mL) displayed better activities against Gibberella zeae with their EC50s falling between 4.0 and 5.5 μg/mL, while YZK-C22 showed an EC50 of 6.4 μg/mL. In addition, 5ah exhibited promising in vivo activity against Erysiphe graminis and Puccinia sorghi Schw. with 100% efficacy at 10 μg/mL and 90% efficacy at 2 μg/mL against P. sorghi Schw. Compound 5ai showed good PK inhibitory activity with an IC50 of 38.8 μmol/L, and it was well docked into the active site of the target enzyme PK, which was slightly more active than YZK-C22 with its IC50 of 42.4 μmol/L. Our studies discovered that isothiazole-purines were PK-based fungicidal leads deserving of further study.
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Claims 7
Claim · model-written summary
Compound 5ai has in vitro activity against Rhizoctonia solani with an EC50 of 1.5 μg/mL, superior to diflumetorim.
- Taxon
- Rhizoctonia solani
Rhizoctonia solanie0 - Treatment
- compound 5aie0
- Outcome
- in vitro activity against Rhizoctonia solanie0
- Value
- 1.5 μg/mLe0
- Comparator
- positive controls diflumetorime0
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e0“compound 5ai displayed excellent in vitro activity against Rhizoctonia solani with an EC50 of 1.5 μg/mL, which was superior to those of positive controls diflumetorim with its EC50 of 19.8 μg/mL and PK-based lead YZK-C22 with its EC50 of 4.2 μg/mL”
Claim · model-written summary
Compound 3b has an EC50 of 5.2 μg/mL against Gibberella zeae, better than YZK-C22.
- Taxon
- Gibberella zeae
_on_Corn_(Zea_mays)_at_Waimea%2C_Hawaii.jpg?width=60)
Fusarium graminearume1 - Treatment
- Compounds 3be1
- Outcome
- activities against Gibberella zeaee1
- Value
- 5.2 μg/mLe1
- Comparator
- YZK-C22e1
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
_on_Corn_(Zea_mays)_at_Waimea%2C_Hawaii.jpg?width=500)
Verbatim
e1“Compounds 3b (5.2 μg/mL) and 3c (4.5 μg/mL) displayed better activities against Gibberella zeae with their EC50s falling between 4.0 and 5.5 μg/mL, while YZK-C22 showed an EC50 of 6.4 μg/mL”
Claim · model-written summary
Compound 3c has an EC50 of 4.5 μg/mL against Gibberella zeae, better than YZK-C22.
- Taxon
- Gibberella zeaeFusarium graminearume1
- Treatment
- 3ce1
- Outcome
- activities against Gibberella zeaee1
- Value
- 4.5 μg/mLe1
- Comparator
- YZK-C22e1
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e1“Compounds 3b (5.2 μg/mL) and 3c (4.5 μg/mL) displayed better activities against Gibberella zeae with their EC50s falling between 4.0 and 5.5 μg/mL, while YZK-C22 showed an EC50 of 6.4 μg/mL”
Claim · model-written summary
Compound 5ah gives 100% in vivo efficacy against Erysiphe graminis at 10 μg/mL.
- Taxon
- Erysiphe graminis
Blumeria graminise2 - Treatment
- 5ahe2
- Outcome
- in vivo activity against Erysiphe graminise2
- Value
- 100%e2
- Qualifier
- 10 μg/mLe2
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e2“5ah exhibited promising in vivo activity against Erysiphe graminis and Puccinia sorghi Schw. with 100% efficacy at 10 μg/mL and 90% efficacy at 2 μg/mL against P. sorghi Schw.”
Claim · model-written summary
Compound 5ah gives 90% in vivo efficacy against Puccinia sorghi at 2 μg/mL.
- Taxon
- Puccinia sorghi
Puccinia sorghie2 - Treatment
- 5ahe2
- Outcome
- efficacye2
- Value
- 90%e2
- Qualifier
- at 2 μg/mL against P. sorghi Schw.e2
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e2“5ah exhibited promising in vivo activity against Erysiphe graminis and Puccinia sorghi Schw. with 100% efficacy at 10 μg/mL and 90% efficacy at 2 μg/mL against P. sorghi Schw.”
Claim · model-written summary
Compound 5ai inhibits pyruvate kinase with an IC50 of 38.8 μmol/L, slightly more active than YZK-C22.
Not reportedTaxon
Verbatim
e3“Compound 5ai showed good PK inhibitory activity with an IC50 of 38.8 μmol/L, and it was well docked into the active site of the target enzyme PK, which was slightly more active than YZK-C22 with its IC50 of 42.4 μmol/L”
Claim · model-written summary
Compound 5ai is well docked into the active site of the target enzyme PK.
Not reportedTaxon
Verbatim
e3“Compound 5ai showed good PK inhibitory activity with an IC50 of 38.8 μmol/L, and it was well docked into the active site of the target enzyme PK, which was slightly more active than YZK-C22 with its IC50 of 42.4 μmol/L”