Discovery of new antimalarials from commercial drugs by in silico and in vitro screening

被引：0

作者：

Machado Tugores, Yanetsy ^{[1
]}

Meneses Marcel, Alfredo ^{[1
]}

Marrero Ponce, Yovani ^{[2
,3
]}

Aran, Vicente J. ^{[4
]}

Escario Garcia-Trevijano, Jose Antonio ^{[5
]}

Huong Le Thi Thu ^{[2
]}

Garcia Sanchez, Rory N.

Gomez Barrio, Alicia ^{[5
]}

机构：

[1] Univ Cent Martha Abreu Las Villas UCLV, Ctr Bioact Quim, Dept Parasitol, Santa Clara 54830, Villa Clara, Cuba

[2] UCLV, Fac Quim Farm, Unit Computer Aided Mol Biosil Discovery & Bioinf, Santa Clara 54830, Villa Clara, Cuba

[3] Univ Valencia, Inst Univ Ciencia Mol, E-46071 Valencia, Spain

[4] CSIC, Inst Quim Med, E-28006 Madrid, Spain

[5] Univ Complutense Madrid, Fac Farm, Dept Parasitol, E-28040 Madrid, Spain

来源：

ANALES DE LA REAL ACADEMIA NACIONAL DE FARMACIA | 2012年 / 78卷 / 04期

关键词：

Antimalarial drug; Virtual screening; Plasmdium falciparum;

D O I：

暂无

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

Increased efforts in antimalarial drug discovery are urgently needed. This paper applies a virtual screening protocol consisting of different computational filters in order to identify new antimalarial scaffolds from a structurally diverse library. This procedure has retained 38 new virtual hit which 12 were selected for experimental evaluation against Plasmodium falciparum, 3 of them showed significant antimalarial activity. These compounds have diverse chemical structures unrelated to existing antimalarial drugs can therefore be considered as new lead compounds, which leave an open door to the development of new antimalarials.

引用

页码：461 / 498

页数：34

共 50 条

[41] Phenotypic Screening in C. elegansas a Tool for the Discovery of New Geroprotective Drugs
Bulterijs, Sven
Braeckman, Bart P.
PHARMACEUTICALS, 2020, 13 (08) : 1 - 35
[42] In silico to in vitro screening of hydroxypyridinones as acetylcholinesterase inhibitors
Telpoukhovskaia, Maria A.
Patrick, Brian O.
Rodriguez-Rodriguez, Cristina
Orvig, Chris
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2016, 26 (06) : 1624 - 1628
[43] Anti-inflammatory drugs as new inhibitors to xanthine oxidase: In vitro and in silico approach
Bou-Salah, Leila
Benarous, Khedidja
Linani, Abderahmane
Rabhi, Faiza
Chaib, Kheira
Chine, Imane
Bensaidane, Hadjer
Yousfi, Mohamed
MOLECULAR AND CELLULAR PROBES, 2021, 58
[44] NEW ANTIEPILEPTIC DRUGS - FROM SERENDIPITY TO RATIONAL DISCOVERY
PORTER, RJ
ROGAWSKI, MA
EPILEPSIA, 1992, 33 : S1 - S6
[45] "New Targets and New Drugs: from in silico Planning to in vivo Testing" Foreword
Maga, Giovanni
CURRENT PHARMACEUTICAL BIOTECHNOLOGY, 2013, 14 (05) : 475 - 476
[46] A combination of new screening assays for prioritization of transmission-blocking antimalarials reveals distinct dynamics of marketed and experimental drugs
Bolscher, J. M.
Koolen, K. M. J.
van Gemert, G. J.
van de Vegte-Bolmer, M. G.
Bousema, T.
Leroy, D.
Sauerwein, R. W.
Dechering, K. J.
JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY, 2015, 70 (05) : 1357 - 1366
[47] Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening
Neres, Joao
Brewer, Mark L.
Ratier, Laura
Botti, Horacio
Buschiazzo, Alejandro
Edwards, Philip N.
Mortenson, Paul N.
Charlton, Michael H.
Alzari, Pedro M.
Frasch, Alberto C.
Bryce, Richard A.
Douglas, Kenneth T.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2009, 19 (03) : 589 - 596
[48] NEW IN-VITRO FLUOROMETRIC MICROTITRATION ASSAYS FOR TOXICOLOGICAL SCREENING OF DRUGS
RAT, P
KORWINZMIJOWSKA, C
WARNET, JM
ADOLPHE, M
CELL BIOLOGY AND TOXICOLOGY, 1994, 10 (5-6) : 329 - 337
[49] In Silico Discovery of Candidate Drugs against Covid-19
Cava, Claudia
Bertoli, Gloria
Castiglioni, Isabella
VIRUSES-BASEL, 2020, 12 (04):
[50] Novel Dipeptide Inhibitors of PfPNP: In-Silico Identification of Promising New Antimalarials
Devi, Kanika
Chandra, Anshuman
Chaudhuri, Susmita
Goel, Vijay Kumar
CHEMISTRY & BIODIVERSITY, 2025, 22 (01)

← 1 2 3 4 5 →