Target Information

Target General Information

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Target ID

T61317 (Former ID: TTDR00657)

Target Name

Plasmodium Oxoacyl-[acyl-carrier protein] reductase (Malaria fabG)

Synonyms

3-oxoacyl-acyl-carrier protein reductase

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Gene Name

Malaria fabG

Target Type

Clinical trial target

[1]

Disease

[+] 1 Target-related Diseases

Hepatic fibrosis/cirrhosis [ICD-11: DB93]

Function

Participates in fatty acid biosynthesis and polyunsaturated fatty acid biosynthesis. Catalyzes the NADPH-dependent reduction of beta-ketoacyl-ACP substrates to beta-hydroxyacyl-ACP products, the first reductive step in the elongation cycle of fatty acid biosynthesis.

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BioChemical Class

Short-chain dehydrogenases reductase

UniProt ID

Q965D6_PLAFA

EC Number

EC 1.1.1.100

Sequence

MSVLHRFYLFFLFTKFFHCYKISYVLKNAKLAPNHAIKNINSLNLLSENKKENYYYCGEN
KVALVTGAGRGIGREIAKMLAKSVSHVICISRTQKSCDSVVDEIKSFGYESSGYAGDVSK
KEEISEVINKILTEHKNVDILVSNAGITRDNLFLRMKNDEWEDVLRTNLNSLFYITQPIS
KRMINNRYGRIINISSIVGLTGNVGQANYSSSKAGVIGFTKSLAKELASRNITVNAIAPG
FISSDMTDKISEQIKKNIISNIPAGRMGTPEEVANLACFLSSDKSGYINGRVFVIDGGLS
P

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Drugs and Modes of Action

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Clinical Trial Drug(s)

[+] 1 Clinical Trial Drugs

Epigallocatechin gallate

Drug Info

Phase 3

Hepatic fibrosis

[2], [3], [4], [5]

Mode of Action

[+] 2 Modes of Action

Inhibitor

[+] 9 Inhibitor drugs

Epigallocatechin gallate

Drug Info

[1]

(-)-CATECHINGALLATE

Drug Info

[1]

2-Hexadecynoic acid

Drug Info

[6]

3,7,3',4'-TETRAHYDROXYFLAVONE

Drug Info

[1]

Chrysin

Drug Info

[1]

GALLOCATECHIN GALLATE

Drug Info

[1]

ISORHAMNETIN

Drug Info

[1]

KAEMPFEROL

Drug Info

[1]

MORIN

Drug Info

[1]

Cofactor

[+] 1 Cofactor drugs

NADPH

Drug Info

[7]

Different Human System Profiles of Target	Top
Human Similarity Proteins of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target. A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs (Brief Bioinform, 21: 649-662, 2020). Human Similarity Proteins

Different Human System Profiles of Target

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Human Similarity Proteins of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.

A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs (Brief Bioinform, 21: 649-662, 2020).

Human Similarity Proteins

Protein Name	Pfam ID	Percentage of Identity (%)	E value
Estradiol 17 beta-dehydrogenase 4 (HSD17B4)	PF00106 ; PF01575 ; PF02036 More >>	32.932 (82/249)	1.47E-30
Dehydrogenase/reductase SDR family member 4-like 2 (DHRS4L2)	PF00106	32.967 (60/182)	1.38E-23
Dehydrogenase/reductase SDR family member 11 (DHRS11)	PF00106	29.487 (69/234)	6.89E-23
17-beta-hydroxysteroid dehydrogenase 13 (HSD17B13)	PF00106	27.919 (55/197)	2.78E-22
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10)	PF00106	26.295 (66/251)	3.74E-22
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (HPGD)	PF00106	32.178 (65/202)	9.20E-22
Estradiol 17-beta-dehydrogenase 11 (HSD17B11)	PF00106	27.523 (60/218)	2.68E-20
17-beta-hydroxysteroid dehydrogenase type 3 (HSD17B3)	PF00106	32.979 (62/188)	4.01E-18
Epidermal retinol dehydrogenase 2 (SDR16C5)	PF00106	27.979 (54/193)	4.64E-18
Retinol dehydrogenase 13 (RDH13)	PF00106	27.861 (56/201)	1.44E-16
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1)	PF00106	28.947 (55/190)	5.79E-16
Retinol dehydrogenase 10 (RDH10)	PF00106	23.377 (54/231)	2.41E-15
Dehydrogenase/reductase SDR family member 7B (DHRS7B)	PF00106	25.893 (58/224)	1.30E-14
Retinol dehydrogenase 8 (RDH8)	PF00106	27.000 (54/200)	3.49E-13
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)	PF00106	30.047 (64/213)	4.14E-13
Very-long-chain 3-oxoacyl-CoA reductase (HSD17B12)	PF00106	29.082 (57/196)	4.80E-13
Dehydrogenase/reductase SDR family member 1 (DHRS1)	PF00106	25.472 (54/212)	6.01E-13
Short-chain dehydrogenase/reductase 3 (DHRS3)	PF00106	23.295 (41/176)	1.65E-12
Dehydrogenase/reductase SDR family member 7 (DHRS7)	PF00106	26.291 (56/213)	3.07E-12
Dehydrogenase/reductase SDR family member 7C (DHRS7C)	PF00106	22.396 (43/192)	1.50E-11
Carbonyl reductase [NADPH] 3 (CBR3)	PF00106	25.926 (63/243)	2.18E-09
Retinol dehydrogenase 16 (RDH16)	PF00106	26.154 (51/195)	2.49E-09
Retinol dehydrogenase 11 (RDH11)	PF00106	26.961 (55/204)	2.55E-09
Retinol dehydrogenase 12 (RDH12)	PF00106	27.500 (55/200)	3.92E-09
3-ketodihydrosphingosine reductase (KDSR)	PF00106	24.324 (54/222)	4.50E-09
17-beta-hydroxysteroid dehydrogenase type 6 (HSD17B6)	PF00106	25.728 (53/206)	6.77E-09
Retinol dehydrogenase 14 (RDH14)	PF00106	23.664 (62/262)	9.66E-09
17-beta-hydroxysteroid dehydrogenase type 2 (HSD17B2)	PF00106	24.424 (53/217)	1.55E-08
Hydroxysteroid 11-beta-dehydrogenase 1-like protein (HSD11B1L)	PF00106	25.287 (44/174)	2.81E-08
Dehydrogenase/reductase SDR family member 9 (DHRS9)	PF00106	24.747 (49/198)	2.96E-08
Hydroxysteroid dehydrogenase-like protein 2 (HSDL2)	PF00106 ; PF02036	23.243 (43/185)	2.15E-07
Dehydrogenase/reductase SDR family member on chromosome X (DHRSX)	PF00106	23.013 (55/239)	5.79E-07
WW domain-containing oxidoreductase (WWOX)	PF00106 ; PF00397	24.752 (50/202)	1.12E-06
Short-chain dehydrogenase/reductase family 9C member 7 (SDR9C7)	PF00106	27.027 (50/185)	1.36E-06
S-nitrosoglutathione reductase (CBR1)	PF00106	24.034 (56/233)	1.71E-06
Retinol dehydrogenase 5 (RDH5)	PF00106	24.631 (50/203)	1.90E-06
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1)	PF00106	24.091 (53/220)	8.60E-06
D-beta-hydroxybutyrate dehydrogenase, mitochondrial (BDH1)	PF00106	26.490 (40/151)	1.34E-05
Dehydrogenase/reductase SDR family member 13 (DHRS13)	PF00106	23.697 (50/211)	1.79E-05
Corticosteroid 11-beta-dehydrogenase 2 (HSD11B2)	PF00106	21.801 (46/211)	1.00E-03
Sepiapterin reductase (SPR)	PF00106	26.540 (56/211)	5.00E-03
Click to Show/Hide the Information of Human Similarity Proteins

Chemical Structure based Activity Landscape of Target

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Drug Property Profile of Target

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(1) Molecular Weight (mw) based Drug Clustering

(2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering

(3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering

(4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering

(5) Rotatable Bond Count (rotbonds) based Drug Clustering

(6) Topological Polar Surface Area (polararea) based Drug Clustering

"RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five

Co-Targets

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Co-Targets

Co-Targets Info

Target Poor or Non Binders

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Target Poor or Non Binders

Target Poor or Non Binders Info

Target-Related Models and Studies

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Target Validation

Target Validation Info

References

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REF 1

Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. J Med Chem. 2006 Jun 1;49(11):3345-53.

REF 2

URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7002).

REF 3

The green tea polyphenol (2)-epigallocatechin-3-gallate (EGCG) is not a beta-secretase inhibitor. Bioorg Med Chem Lett. 2012 Feb 1;22(3):1408-14.

REF 4

Epigallocatechin gallate modulates CYP450 isoforms in the female Swiss-Webster mouse. Toxicol Sci. 2003 Dec;76(2):262-70.

REF 5

Prolyl endopeptidase inhibitors from green tea. Arch Pharm Res. 2001 Aug;24(4):292-6.

REF 6

2-Hexadecynoic acid inhibits plasmodial FAS-II enzymes and arrests erythrocytic and liver stage Plasmodium infections. Bioorg Med Chem. 2010 Nov 1;18(21):7475-85.

REF 7

Functional characterization of beta-ketoacyl-ACP reductase (FabG) from Plasmodium falciparum. Biochem Biophys Res Commun. 2003 Mar 28;303(1):387-92.

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