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Article ; Online: Mycobacterium tuberculosis

Quimque, Mark Tristan J / Go, Adrian D / Lim, Justin Allen K / Vidar, Warren S / Macabeo, Allan Patrick G

International journal of molecular sciences

2023 Volume 24, Issue 14

Abstract: New antitubercular agents with either a novel mode of action or novel mode of inhibition are urgently needed to overcome the threat of drug-resistant tuberculosis (TB). The present study profiles new arylated quinoline carboxylic acids (QCAs) having ... ...

Abstract	New antitubercular agents with either a novel mode of action or novel mode of inhibition are urgently needed to overcome the threat of drug-resistant tuberculosis (TB). The present study profiles new arylated quinoline carboxylic acids (QCAs) having activity against replicating and non-replicating
MeSH term(s)	Mycobacterium tuberculosis/metabolism ; DNA Gyrase/metabolism ; Carboxylic Acids/pharmacology ; Structure-Activity Relationship ; Antitubercular Agents/pharmacology ; Quinolines/pharmacology ; Microbial Sensitivity Tests ; Topoisomerase II Inhibitors/pharmacology
Chemical Substances	DNA Gyrase (EC 5.99.1.3) ; Carboxylic Acids ; Antitubercular Agents ; Quinolines ; Topoisomerase II Inhibitors
Language	English
Publishing date	2023-07-19
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2019364-6
ISSN	1422-0067 ; 1422-0067 ; 1661-6596
ISSN (online)	1422-0067
ISSN	1422-0067 ; 1661-6596
DOI	10.3390/ijms241411632
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Polyoxygenated Cyclohexenes from

Quimque, Mark Tristan J / Magsipoc, Ryan Joseph Y / Llames, Lloyd Christian J / Flores, Angeli Izza G / Garcia, Katherine Yasmin M / Ratzenböck, Andreas / Hussain, Hidayat / Macabeo, Allan Patrick G

ACS omega

2022 Volume 7, Issue 41, Page(s) 36856–36864

Abstract: Shikimic acid-derived polyoxygenated cyclohexene natural products commonly occurring in several species of ... ...

Abstract	Shikimic acid-derived polyoxygenated cyclohexene natural products commonly occurring in several species of the
Language	English
Publishing date	2022-10-07
Publishing country	United States
Document type	Journal Article
ISSN	2470-1343
ISSN (online)	2470-1343
DOI	10.1021/acsomega.2c05544
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Antiproliferative and Cytotoxic Cytochalasins from

Garcia, Katherine Yasmin M / Quimque, Mark Tristan J / Lambert, Christopher / Schmidt, Katharina / Primahana, Gian / Stradal, Theresia E B / Ratzenböck, Andreas / Dahse, Hans-Martin / Phukhamsakda, Chayanard / Stadler, Marc / Surup, Frank / Macabeo, Allan Patrick G

Journal of fungi (Basel, Switzerland)

2022 Volume 8, Issue 6

Abstract: Laying the groundwork on preliminary structure-activity relationship study relating to the disruptive activity of cytochalasan derivatives on mammalian cell actin cytoskeleton, we furthered our study on the cytochalasans of the Dothideomycetes fungus, ...

Abstract	Laying the groundwork on preliminary structure-activity relationship study relating to the disruptive activity of cytochalasan derivatives on mammalian cell actin cytoskeleton, we furthered our study on the cytochalasans of the Dothideomycetes fungus,
Language	English
Publishing date	2022-05-25
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2784229-0
ISSN	2309-608X ; 2309-608X
ISSN (online)	2309-608X
ISSN	2309-608X
DOI	10.3390/jof8060560
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Article ; Online: Catechol-Bearing Polyketide Derivatives from

Garcia, Katherine Yasmin M / Phukhamsakda, Chayanard / Quimque, Mark Tristan J / Hyde, Kevin D / Stadler, Marc / Macabeo, Allan Patrick G

Journal of natural products

2021 Volume 84, Issue 7, Page(s) 2053–2058

Abstract: Sparticols A ( ...

Abstract	Sparticols A (
MeSH term(s)	Anti-Bacterial Agents/isolation & purification ; Anti-Bacterial Agents/pharmacology ; Ascomycota/chemistry ; Catechols/isolation & purification ; Catechols/pharmacology ; Microbial Sensitivity Tests ; Molecular Structure ; Polyketides/isolation & purification ; Polyketides/pharmacology ; Staphylococcus aureus/drug effects ; Structure-Activity Relationship
Chemical Substances	Anti-Bacterial Agents ; Catechols ; Polyketides
Language	English
Publishing date	2021-07-01
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	304325-3
ISSN	1520-6025 ; 0163-3864
ISSN (online)	1520-6025
ISSN	0163-3864
DOI	10.1021/acs.jnatprod.1c00415
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Jg. 1995 - 2021: Lesesall (1.OG)
ab Jg. 2022: Lesesaal (EG)

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Article ; Online: Attenuation of Lipopolysaccharide-Induced Inflammatory Responses through Inhibition of the NF-κB Pathway and the Increased NRF2 Level by a Flavonol-Enriched

Notarte, Kin Israel R / Quimque, Mark Tristan J / Macaranas, Imee T / Khan, Abbas / Pastrana, Adriel M / Villaflores, Oliver B / Arturo, Hans Christian P / Pilapil Iv, Delfin Yñigo H / Tan, Sophia Morgan M / Wei, Dong-Qing / Wenzel-Storjohann, Arlette / Tasdemir, Deniz / Yen, Chia-Hung / Ji, Seon Yeong / Kim, Gi-Young / Choi, Yung Hyun / Macabeo, Allan Patrick G

ACS omega

2023 Volume 8, Issue 6, Page(s) 5377–5392

Abstract: Pathologic hyperreactive inflammatory responses occur when there is excessive activation of a proinflammatory NF-κB pathway and a reduced cytoprotective NRF2 cascade. The noncytotoxic, highly selective COX-2 inhibitory flavonol-enriched butanol fraction ( ...

Abstract	Pathologic hyperreactive inflammatory responses occur when there is excessive activation of a proinflammatory NF-κB pathway and a reduced cytoprotective NRF2 cascade. The noncytotoxic, highly selective COX-2 inhibitory flavonol-enriched butanol fraction (UaB) from
Language	English
Publishing date	2023-01-31
Publishing country	United States
Document type	Journal Article
ISSN	2470-1343
ISSN (online)	2470-1343
DOI	10.1021/acsomega.2c06451
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Article ; Online: COX Inhibitory and Cytotoxic Naphthoketal-Bearing Polyketides from

Garcia, Katherine Yasmin M / Quimque, Mark Tristan J / Primahana, Gian / Ratzenböck, Andreas / Cano, Mark Joseph B / Llaguno, Jeremiah Francis A / Dahse, Hans-Martin / Phukhamsakda, Chayanard / Surup, Frank / Stadler, Marc / Macabeo, Allan Patrick G

International journal of molecular sciences

2021 Volume 22, Issue 22

Abstract: Axenic fermentation on solid rice of the saprobic ... ...

Abstract	Axenic fermentation on solid rice of the saprobic fungus
MeSH term(s)	Animals ; Anti-Infective Agents/chemistry ; Anti-Infective Agents/isolation & purification ; Anti-Infective Agents/pharmacology ; Antineoplastic Agents/chemistry ; Antineoplastic Agents/isolation & purification ; Antineoplastic Agents/pharmacology ; Ascomycota/metabolism ; Axenic Culture/methods ; Cell Proliferation/drug effects ; Cell Survival/drug effects ; Circular Dichroism/methods ; Cyclooxygenase Inhibitors/chemistry ; Cyclooxygenase Inhibitors/isolation & purification ; Cyclooxygenase Inhibitors/pharmacology ; Fermentation ; Fibroblasts/drug effects ; Fibroblasts/metabolism ; HeLa Cells ; Human Umbilical Vein Endothelial Cells ; Humans ; Mice ; Microbial Sensitivity Tests ; Molecular Docking Simulation/methods ; Molecular Structure ; Polyketides/chemistry ; Polyketides/isolation & purification ; Polyketides/pharmacology
Chemical Substances	Anti-Infective Agents ; Antineoplastic Agents ; Cyclooxygenase Inhibitors ; Polyketides
Language	English
Publishing date	2021-11-17
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2019364-6
ISSN	1422-0067 ; 1422-0067 ; 1661-6596
ISSN (online)	1422-0067
ISSN	1422-0067 ; 1661-6596
DOI	10.3390/ijms222212379
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Article: Catechol-Bearing Polyketide Derivatives from Sparticola junci

Garcia, Katherine Yasmin M. / Phukhamsakda, Chayanard / Quimque, Mark Tristan J. / Hyde, Kevin D. / Stadler, Marc / Macabeo, Allan Patrick G.

Journal of natural products. 2021 July 01, v. 84, no. 7

2021

Abstract: Sparticols A (1) and B (2), two catechol-bearing naphthalenedioxy derivatives, were isolated from the submerged culture of the Spanish broom inhabiting Dothideomycetes fungus, Sparticola junci. The structures of 1 and 2 were established by NMR ... ...

Abstract	Sparticols A (1) and B (2), two catechol-bearing naphthalenedioxy derivatives, were isolated from the submerged culture of the Spanish broom inhabiting Dothideomycetes fungus, Sparticola junci. The structures of 1 and 2 were established by NMR spectroscopic analysis and high-resolution mass spectrometry. The 8S absolute configuration of their β-hydroxy functionalities was determined by ECD-TDDFT. Both compounds exhibited inhibitory activity against Staphylococcus aureus with an MIC value of 66.6 μg/mL. Polyketides 1 and/or 2 may be associated with pathways cascading to seco-spirodioxynapthalene derivatives.
Keywords	Dothideomycetes ; Spartium junceum ; Staphylococcus aureus ; fungi ; mass spectrometry ; polyketides ; spectral analysis
Language	English
Dates of publication	2021-0701
Size	p. 2053-2058.
Publishing place	American Chemical Society and American Society of Pharmacognosy
Document type	Article
ZDB-ID	304325-3
ISSN	1520-6025 ; 0163-3864
ISSN (online)	1520-6025
ISSN	0163-3864
DOI	10.1021/acs.jnatprod.1c00415
Database	NAL-Catalogue (AGRICOLA)

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Zs.A 1144: Show issues

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Je nach Verfügbarkeit (siehe Angabe bei Bestand)
bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
Jg. 1995 - 2021: Lesesall (1.OG)
ab Jg. 2022: Lesesaal (EG)

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Article ; Online: Anti-HIV reverse transcriptase plant polyphenolic natural products with in silico inhibitory properties on seven non-structural proteins vital in SARS-CoV-2 pathogenesis.

de Leon, Von Novi O / Manzano, Joe Anthony H / Pilapil, Delfin Yñigo H / Fernandez, Rey Arturo T / Ching, James Kyle Anthony R / Quimque, Mark Tristan J / Agbay, Jay Carl M / Notarte, Kin Israel R / Macabeo, Allan Patrick G

Journal, genetic engineering & biotechnology

2021 Volume 19, Issue 1, Page(s) 104

Abstract: Background: Accessing COVID-19 vaccines is a challenge despite successful clinical trials. This burdens the COVID-19 treatment gap, thereby requiring accelerated discovery of anti-SARS-CoV-2 agents. This study explored the potential of anti-HIV reverse ... ...

Abstract	Background: Accessing COVID-19 vaccines is a challenge despite successful clinical trials. This burdens the COVID-19 treatment gap, thereby requiring accelerated discovery of anti-SARS-CoV-2 agents. This study explored the potential of anti-HIV reverse transcriptase (RT) phytochemicals as inhibitors of SARS-CoV-2 non-structural proteins (nsps) by targeting in silico key sites in the structures of SARS-CoV-2 nsps. One hundred four anti-HIV phytochemicals were subjected to molecular docking with nsp3, 5, 10, 12, 13, 15, and 16. Top compounds in complex with the nsps were investigated further through molecular dynamics. The drug-likeness and ADME (absorption, distribution, metabolism, and excretion) properties of the top compounds were also predicted using SwissADME. Their toxicity was likewise determined using OSIRIS Property Explorer. Results: Among the top-scoring compounds, the polyphenolic functionalized natural products comprised of biflavones 1, 4, 11, 13, 14, 15; ellagitannin 9; and bisisoquinoline alkaloid 19 were multi-targeting and exhibited strongest binding affinities to at least two nsps (binding energy = - 7.7 to - 10.8 kcal/mol). The top ligands were stable in complex with their target nsps as determined by molecular dynamics. Several top-binding compounds were computationally druggable, showed good gastrointestinal absorptive property, and were also predicted to be non-toxic. Conclusions: Twenty anti-HIV RT phytochemicals showed multi-targeting inhibitory potential against SARS-CoV-2 non-structural proteins 3, 5, 10, 12, 13, 15, and 16. Our results highlight the importance of polyhydroxylated aromatic substructures for effective attachment in the binding/catalytic sites of nsps involved in post-translational mechanism pathways. As such with the nsps playing vital roles in viral pathogenesis, our findings provide inspiration for the design and discovery of novel anti-COVID-19 drug prototypes.
Language	English
Publishing date	2021-07-16
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	2637420-1
ISSN	2090-5920 ; 1687-157X ; 2090-5920
ISSN (online)	2090-5920
ISSN	1687-157X ; 2090-5920
DOI	10.1186/s43141-021-00206-2
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Article ; Online: Alpha-Glucosidase- and Lipase-Inhibitory Phenalenones from a New Species of

Macabeo, Allan Patrick G / Pilapil, Luis Agustin E / Garcia, Katherine Yasmin M / Quimque, Mark Tristan J / Phukhamsakda, Chayanard / Cruz, Allaine Jean C / Hyde, Kevin D / Stadler, Marc

Molecules (Basel, Switzerland)

2020 Volume 25, Issue 4

Abstract: The alpha-glucosidase- and lipase-inhibitory activities of three phenalenones ( ...

Abstract	The alpha-glucosidase- and lipase-inhibitory activities of three phenalenones (
MeSH term(s)	Animals ; Ascomycota/chemistry ; Glycoside Hydrolase Inhibitors/chemistry ; Glycoside Hydrolase Inhibitors/isolation & purification ; Lipase/antagonists & inhibitors ; Lipase/chemistry ; Molecular Docking Simulation ; Phenalenes/chemistry ; Phenalenes/isolation & purification ; Swine ; Thailand ; alpha-Glucosidases/chemistry
Chemical Substances	Glycoside Hydrolase Inhibitors ; Phenalenes ; Lipase (EC 3.1.1.3) ; alpha-Glucosidases (EC 3.2.1.20)
Language	English
Publishing date	2020-02-20
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules25040965
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Article ; Online: Antiproliferative and Cytotoxic Cytochalasins from Sparticola triseptata Inhibit Actin Polymerization and Aggregation

Katherine Yasmin M. Garcia / Mark Tristan J. Quimque / Christopher Lambert / Katharina Schmidt / Gian Primahana / Theresia E. B. Stradal / Andreas Ratzenböck / Hans-Martin Dahse / Chayanard Phukhamsakda / Marc Stadler / Frank Surup / Allan Patrick G. Macabeo

Journal of Fungi, Vol 8, Iss 560, p

2022 Volume 560

Abstract: Laying the groundwork on preliminary structure–activity relationship study relating to the disruptive activity of cytochalasan derivatives on mammalian cell actin cytoskeleton, we furthered our study on the cytochalasans of the Dothideomycetes fungus, ... ...

Abstract	Laying the groundwork on preliminary structure–activity relationship study relating to the disruptive activity of cytochalasan derivatives on mammalian cell actin cytoskeleton, we furthered our study on the cytochalasans of the Dothideomycetes fungus, Sparticola triseptata . A new cytochalasan analog triseptatin ( 1 ), along with the previously described cytochalasans deoxaphomin B ( 2 ) and cytochalasin B ( 3 ), and polyketide derivatives cis -4-hydroxy-6-deoxyscytalone ( 4 ) and 6-hydroxymellein ( 5 ) were isolated from the rice culture of S. triseptata . The structure of 1 was elucidated through NMR spectroscopic analysis and high-resolution mass spectrometry (HR-ESI-MS). The relative and absolute configurations were established through analysis of NOESY spectroscopic data and later correlated with experimental electronic circular dichroism and time-dependent density functional theory (ECD–TDDFT) computational analysis. Compounds 1 and 2 showed cytotoxic activities against seven mammalian cell lines (L929, KB3.1, MCF-7, A549, PC-3, SKOV-3, and A431) and antiproliferative effects against the myeloid leukemia K-562 cancer cell line. Both 1 and 2 were shown to possess properties inhibiting the F-actin network, prompting further hypotheses that should to be tested in the future to enable a well-resolved concept of the structural implications determining the bioactivity of the cytochalasin backbone against F-actin.
Keywords	Sparticola triseptata ; structure elucidation ; ECD–TDDFT ; antiproliferative ; cytotoxic ; actin inhibitors ; Biology (General) ; QH301-705.5
Subject code	572
Language	English
Publishing date	2022-05-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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