• Something wrong with this record ?

Virtual screening of potential anticancer drugs based on microbial products

GP. Pinto, NM. Hendrikse, J. Stourac, J. Damborsky, D. Bednar

. 2022 ; 86 (Pt 2) : 1207-1217. [pub] 20210721

Language English Country England, Great Britain

Document type Journal Article, Review, Research Support, Non-U.S. Gov't

The development of microbial products for cancer treatment has been in the spotlight in recent years. In order to accelerate the lengthy and expensive drug development process, in silico screening tools are systematically employed, especially during the initial discovery phase. Moreover, considering the steadily increasing number of molecules approved by authorities for commercial use, there is a demand for faster methods to repurpose such drugs. Here we present a review on virtual screening web tools, such as publicly available databases of molecular targets and libraries of ligands, with the aim to facilitate the discovery of potential anticancer drugs based on microbial products. We provide an entry-level step-by-step description of the workflow for virtual screening of microbial metabolites with known protein targets, as well as two practical examples using freely available web tools. The first case presents a virtual screening study of drugs developed from microbial products using Caver Web, a web tool that performs docking along a tunnel. The second case comprises a comparative analysis between a wild type isocitrate dehydrogenase 1 and a mutant that results in cancer, using the recently developed web tool PredictSNPOnco. In summary, this review provides the basic and essential background information necessary for virtual screening experiments, which may accelerate the discovery of novel anticancer drugs.

References provided by Crossref.org

000      
00000naa a2200000 a 4500
001      
bmc22032946
003      
CZ-PrNML
005      
20230131150650.0
007      
ta
008      
230120s2022 enk f 000 0|eng||
009      
AR
024    7_
$a 10.1016/j.semcancer.2021.07.012 $2 doi
035    __
$a (PubMed)34298109
040    __
$a ABA008 $b cze $d ABA008 $e AACR2
041    0_
$a eng
044    __
$a enk
100    1_
$a Pinto, Gaspar P $u Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5/A13, Brno, 625 00, Czech Republic; International Clinical Research Center, St. Anne's University Hospital Brno, Pekarska 53, Brno, 656 91, Czech Republic
245    10
$a Virtual screening of potential anticancer drugs based on microbial products / $c GP. Pinto, NM. Hendrikse, J. Stourac, J. Damborsky, D. Bednar
520    9_
$a The development of microbial products for cancer treatment has been in the spotlight in recent years. In order to accelerate the lengthy and expensive drug development process, in silico screening tools are systematically employed, especially during the initial discovery phase. Moreover, considering the steadily increasing number of molecules approved by authorities for commercial use, there is a demand for faster methods to repurpose such drugs. Here we present a review on virtual screening web tools, such as publicly available databases of molecular targets and libraries of ligands, with the aim to facilitate the discovery of potential anticancer drugs based on microbial products. We provide an entry-level step-by-step description of the workflow for virtual screening of microbial metabolites with known protein targets, as well as two practical examples using freely available web tools. The first case presents a virtual screening study of drugs developed from microbial products using Caver Web, a web tool that performs docking along a tunnel. The second case comprises a comparative analysis between a wild type isocitrate dehydrogenase 1 and a mutant that results in cancer, using the recently developed web tool PredictSNPOnco. In summary, this review provides the basic and essential background information necessary for virtual screening experiments, which may accelerate the discovery of novel anticancer drugs.
650    _2
$a lidé $7 D006801
650    _2
$a ligandy $7 D008024
650    12
$a protinádorové látky $x farmakologie $x terapeutické užití $7 D000970
655    _2
$a časopisecké články $7 D016428
655    _2
$a přehledy $7 D016454
655    _2
$a práce podpořená grantem $7 D013485
700    1_
$a Hendrikse, Natalie M $u Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5/A13, Brno, 625 00, Czech Republic
700    1_
$a Stourac, Jan $u Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5/A13, Brno, 625 00, Czech Republic; International Clinical Research Center, St. Anne's University Hospital Brno, Pekarska 53, Brno, 656 91, Czech Republic
700    1_
$a Damborsky, Jiri $u Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5/A13, Brno, 625 00, Czech Republic; International Clinical Research Center, St. Anne's University Hospital Brno, Pekarska 53, Brno, 656 91, Czech Republic
700    1_
$a Bednar, David $u Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5/A13, Brno, 625 00, Czech Republic; International Clinical Research Center, St. Anne's University Hospital Brno, Pekarska 53, Brno, 656 91, Czech Republic. Electronic address: 222755@mail.muni.cz
773    0_
$w MED00004316 $t Seminars in cancer biology $x 1096-3650 $g Roč. 86, č. Pt 2 (2022), s. 1207-1217
856    41
$u https://pubmed.ncbi.nlm.nih.gov/34298109 $y Pubmed
910    __
$a ABA008 $b sig $c sign $y p $z 0
990    __
$a 20230120 $b ABA008
991    __
$a 20230131150646 $b ABA008
999    __
$a ok $b bmc $g 1891610 $s 1184281
BAS    __
$a 3
BAS    __
$a PreBMC-MEDLINE
BMC    __
$a 2022 $b 86 $c Pt 2 $d 1207-1217 $e 20210721 $i 1096-3650 $m Seminars in cancer biology $n Semin Cancer Biol $x MED00004316
LZP    __
$a Pubmed-20230120

Find record

Citation metrics

Loading data ...

Archiving options

Loading data ...