Table 1 Predicted protein-drug affinities for drug target and microbiome proteins.

Trimethoprim

E. coli

Dihydrofolate reductase

7MYM

folA

-

-

-

−5.3

143

133

177

2

27

2

60

33

1

0

-

-

-

-

Vaginal

30.488

Bifidobacterium vaginale

−5.51

138

134

177

3

26

4

59

27

3

0

Ethambutol

M. tuberculosis

Probable arabinosyltransferase A

7BVF

embA

-

-

-

−5.1

117

140

154

0

24

0

54

34

1

0

-

-

-

-

Gut

34.057

Corynebacterium sp902373425

−5.14

147

165

175

3

25

2

60

37

2

0

Fidaxomicin

C. difficile

DNA-directed RNA polymerase

7L7B

rpo

-

-

-

−15.58

4618

3086

1440

113

516

31

470

0

32

0

-

-

-

-

Vaginal

-

Nanoperiomorbus sp004136275

−15.94

4485

2986

1472

144

508

49

483

0

41

1

Acetazolamide

H. sapiens

Carbonic anhydrase 2

6YMA

CA2

-

-

-

−5.16

156

195

209

160

40

41

90

47

50

1

-

-

-

-

Oral

30.469

Neisseria sp000952795

−5.2

147

200

205

153

53

47

94

45

48

1

Rapamycin

H. sapiens

Peptidyl-prolyl cis-trans isomerase

6M4U

FKBP1A

-

-

-

−9.48

3135

1673

727

0

200

1

212

27

0

0

-

-

-

-

Vaginal

39.091

Bifidobacterium vaginale

−8.95

2600

1537

648

0

213

0

200

26

0

0

Tacrine

H. sapiens

Acetylcholinesterase

7XN1

ACHE

-

-

-

−5.51

162

40

192

1

0

0

37

30

1

0

-

-

-

-

Gut

33.88

Raoultella ornithinolytica

−5.3

130

36

148

0

0

0

32

27

1

0

Empagliflozin

H. sapiens

Sodium/glucose cotransporter 2

7VSI

SCL5A2

-

-

-

−10.78

3178

1903

757

161

273

49

242

0

36

1

-

-

-

-

Gut

35.614

Parabacteroides sp003473295

−5.58

160

193

36

155

42

49

36

0

36

1