Table 2 Screened compounds based on E-pharmacophore feature mapping.

From: Exemplifying the next generation of antibiotic susceptibility intensifiers of phytochemicals by LasR-mediated quorum sensing inhibition

Screened compounds

PubChem CID

Features

OdDHL

3,246,941

A(1) A(4) D(5) H(7) H(6)

HHL

10,058,590

A(1) A(3) D(4) H(-) H(-)

BHL

10,130,163

A(1) A(3) D(4) H(-) H(-)

Moupinamide

5,280,537

A(-) A(2) D(7) H(8) H(-)

Methylenedioxybenzoyl ethyl PABA

785,868

A(1) A(4) D(6) H(7) H(-)

Kinetin riboside

20,345

A(8) A(3) D(12) H(-) H(-)

5-Hydroxy-6,7,4'-trimethoxyisoflavone

10,830,108

A(3) A(-) D(-) H(9) H(8)

Capsaicin

1,548,943

A(1) A(2) D(-) H(7) H(9)

Saussureamine C

9,998,735

A(2) A(5) D(9) H(-) H(10)

6-Gingerol

442,793

A(2) A(3) D(-) H(-) H(8)

Irisolidone

5,281,781

A(6) A(5) D(-) H(10) H(-)

Chrysoeriol

5,280,666

A(2) A(3) D(-) H(-) H(10)

4'-O-Methylkievitone

44,257,389

A(2) A(3) D(-) H(10) H(13)

Jaceosidin

5,379,096

A(3) A(4) D(-) H(-) H(12)

N-Benzoyl-L-phenylalaninol

100,005

A(1) A(2) D(4) H(-) H(-)

Batatifolin

5,320,181

A(2) A(3) D(-) H(-) H(12)

Broussonin C

442,289

A(3) A(2) D(-) H(7) H(10)

Ursolic acid

64,945

A(-) A(2) D(-) H(11) H(13)

Gancaonin P 3'methyl ether

5,317,483

A(1) A(6) D(-) H(12) H(15)

Dihydrozeatin riboside

10,522,005

A(6) A(2) D(9) H(15) H(14)

Chavicine

1,548,912

A(-) A(2) D(-) H(4) H(5)

Lupinalbin C

14,309,762

A(7) A(5) D(-) H(-) H(11)

Ovalitenone

627,910

A(2) A(5) D(-) H(-) H(8)

Licoisoflavone B

5,481,234

A(6) A(5) D(-) H(10) H(12)

Chlorogenic Acid.1

1,794,427

A(2) A(7) D(10) H(-) H(-)

Silibinin.1

31,553

A(9) A(7) D(-) H(16) H(-)

Gancaonin I

480,777

A(5) A(4) D(-) H(12) H(10)

BavachalconeCID_6450879.1

6,450,879

A(-) A(1) D(6) H(8) H(10)

Bavachin

14,236,566

A(4) A(1) D(-) H(8) H(9)

gallic acid_CID_370.1

370

A(1) A(3) D(8) H(-) H(-)

(-)-Epicatechin

72,276

A(3) A(1) D(7) H(-) H(-)

( +)-Isofebrifugine

11,208,839

A(4) A(2) D(6) H(-) H(-)

Leucopelargonidin

3,286,789

A(4) A(1) D(7) H(-) H(-)

Glycyrrhisoflavone

5,317,764

A(6) A(2) D(-) H(12) H(13)

Zingerone

31,211

A(2) A(1) D(4) H(-) H(-)

Moracin C

155,248

A(4) A(1) D(-) H(8) H(10)

Lupiwighteone

5,317,480

A(-) A(4) D(-) H(9) H(11)

Malvidin_min.1

159,287

A(5) A(6) D(-) H(12) H(-)

Ferulic acid_CID_445858.1

445,858

A(-) A(3) D(6) H(7) H(-)

6-shogaol.1

5,281,794

A(1) A(-) D(4) H(7) H(6)

( +)-Alangimaridine

10,853,265

A(-) A(2) D(5) H(9) H(7)

Resveratrol.1

445,154

A(-) A(2) D(6) H(-) H(7)

Licoflavonol

5,481,964

A(6) A(-) D(9) H(11) H(13)

Ajoene

5,386,591

A(-) A(-) D(-) H(2) H(3)

Arachidin-3

11,380,920

A(1) A(2) D(-) H(-) H(-)

Ellagic acid

5,281,855

A(7) A(3) D(-) H(-) H(-)

Curcumin

969,516

A(2) A(-) D(8) H(-) H(-)

7,4'-Dihydroxyflavan

158,280

A(-) A(-) D(5) H(-) H(6)

Dihydrobaicalein

9,816,931

A(5) A(1) D(-) H(-) H(-)

Equol

91,469

A(-) A(3) D(-) H(-) H(6)

Nb-p-Coumaroyltryptamine

5,458,878

A(2) A(-) D(-) H(-) H(6)

Barbaloin

12,305,761

A(-) A(-) D(13) H(-) H(17)

1,3,8-Trihydroxy-5-methoxy-xanthen-9-one

5,322,042

A(-) A(-) D(9) H(10) H(-)

taxifolin_min.1

439,533

A(3) A(-) D(8) H(-) H(-)

caffeine_min.1

2519

A(1) A(2) D(-) H(-) H(-)

Anhydroglycinol

442,667

A(-) A(3) D(-) H(-) H(7)

Cianidanol

9064

A(4) A(2) D(-) H(-) H(-)

caffeic acid

689,043

A(-) A(4) D(5) H(-) H(-)

Baicalein

5,281,605

A(1) A(2) D(-) H(-) H(-)

Kaempferol

5,280,863

A(1) A(2) D(-) H(-) H(-)

Galangin

5,281,616

A(1) A(2) D(-) H(-) H(-)

Apigenin

5,280,443

A(1) A(2) D(-) H(-) H(-)

Chrysin

5,281,607

A(1) A(2) D(-) H(-) H(-)

Fisetin

5,281,614

A(-) A(4) D(9) H(-) H(-)

Epicatechin gallate

107,905

A(9) A(-) D(15) H(-) H(-)

Liquiritigenin

114,829

A(4) A(1) D(-) H(-) H(-)

7-Hydroxyflavanone

1890

A(3) A(2) D(-) H(-) H(-)

Dihydronorwogonin

42,608,113

A(-) A(5) D(6) H(-) H(-)

  1. A hydrogen acceptor, D hydrogen donor, and H hydrophobicity.