Exploring anti-malarial potential of FDA approved drugs: an in silico approach

Ramakrishnan, Gayatri; Chandra, Nagasuma; Srinivasan, Narayanaswamy

doi:10.1186/s12936-017-1937-2

Malaria Journal

Table 3 Details on 46 FDA-approved drugs that are likely to be active against Plasmodium falciparum during the course of infection

From: Exploring anti-malarial potential of FDA approved drugs: an in silico approach

Drug name	DrugBank ID	Category	Drug class	LogP
DB00199	Erythromycin [48]	Antibacterial	Macrolides and analogues	3.06
DB00218	Moxifloxacin	Antibacterial	Quinolines	2.9
DB00250	Dapsone [49]^a	Antibacterial	Benzene derivatives	0.97
DB00256	Lymecycline	Antibacterial	Tetracyclines	0.3
DB00263	Sulfisoxazole [50]	Antibacterial	Benzene derivatives	1.01
DB00336	Nitrofural	Antibacterial	Furans	0.23
DB00400	Griseofulvin	Antifungal	Benzofurans	2.18
DB00410	Mupirocin [27]	Antibacterial	Fatty acyls	2.45
DB00426	Famciclovir	Antiviral	Imidazopyrimidines	0.6
DB00446	Chloramphenicol [51]^b	Antibacterial	Carboxylic acids	1.14
DB00453	Clomocycline	Antibacterial	Tetracyclines	0.2
DB00487	Pefloxacin [52]	Antibacterial	Quinolines	0.27
DB00518	Albendazole [53]	Anthelmintic	Benzimidazoles	2.7
DB00537	Ciprofloxacin [52]	Antibacterial	Quinolines	0.28
DB00548	Azelaic acid	Antibacterial	Fatty acyls	1.57
DB00560	Tigecycline [54]	Antibacterial	Tetracyclines	0.8
DB00567	Cephalexin [55]	Antibacterial	Carboxylic acids	0.65
DB00576	Sulfamethizole	Antibacterial	Benzene derivatives	0.54
DB00609	Ethionamide	Antitubercular	Pyridines	0.5
DB00615	Rifabutin [56]	Antitubercular	Macrolactams	4.1
DB00618	Demeclocycline	Antibacterial	Tetracyclines	0.2
DB00730	Thiabendazole [53]	Anthelmintic	Benzimidazoles	2.47
DB00817	Rosoxacin	Antibacterial	Quinolines	3.0
DB01015	Sulfamethoxazole [57]	Antibacterial	Benzene derivatives	0.89
DB01017	Minocycline [55]	Antibacterial	Tetracyclines	0.05
DB01044	Gatifloxacin [58]	Antibacterial	Quinolines	2.6
DB01045	Rifampicin [56]	Antitubercular	–	2.7
DB01051	Novobiocin [52]	Antibacterial	Coumarins	4.1
DB01137	Levofloxacin [58]	Antibacterial	Quinolines	2.1
DB01155	Gemifloxacin	Antibacterial	Naphthyridines	2.3
DB01165	Ofloxacin [52]	Antibacterial	Quinolines	0.65
DB01208	Sparfloxacin [58]	Antibacterial	Quinolines	2.5
DB01220	Rifaximin	Antibacterial	Macrolactams	2.6
DB01256	Retapamulin	Antibacterial	Prenol lipids	4.37
DB01298	Sulfacytine	Antibacterial	Benzene derivatives	0.055
DB01321	Josamycin	Antibacterial	Macrolides and analogues	3.22
DB01361	Troleandomycin	Antibacterial	Macrolides and analogues	4.3
DB01581	Sulfamerazine	Antibacterial	Benzene and derivatives	0.14
DB01582	Sulfamethazine	Antibacterial	Benzene and derivatives	0.89
DB01603	Meticillin	Antibacterial	Lactams	1.22
DB01764	Dalfopristin [59]	Antibacterial	Macrolide lactams	1.58
DB02703	Fusidic acid [60]	Antibacterial	Steroid derivatives	4.42
DB04576	Fleroxacin	Antibacterial	–	0.24
DB06729	Sulfaphenazole	Antibacterial	Azoles	1.52
DB06771	Besifloxacin	Antibacterial	Quinolines	0.54
DB08604	Triclosan [61]	Antibacterial	Quinolines	4.98

The references included in 23 entries are with respect to the reports on experimental evidence of anti-malarial activity of the drugs
^aChloroproguanil–dapsone combination drug Lapdap has been withdrawn from the market after the observation on significant reductions in haemoglobin levels of patients with glucose-6-phosphate dehydrogenase deficiency [62]
^bChloramphenicol is known to be associated with adverse haematological side-effects [63]

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ISSN: 1475-2875

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