Back

Molecular dynamics simulations demonstrate reduced antibiotic affinity to mirror bacterial targets

Fady, P.-E.; Ciccone, J.

2025-12-17 biochemistry
10.64898/2025.12.17.694932 bioRxiv
Show abstract

"Mirror life", self-replicating organisms composed of non-natural-chirality biomacromolecules, presents a severe future threat with potentially global consequences. Consequently, there is strong agreement among experts that it should not be created. However, there is some disagreement over how effective existing medical countermeasures might prove against mirror bacteria in the event that they were created. Here, we leverage computational chemistry methods including docking and molecular dynamics to determine the likely binding efficacy of existing antibiotics against natural and mirror bacterial protein targets. We find that existing most antibiotics fail to bind to mirror bacterial protein targets, unlike their natural chirality targets. This suggests that current medical countermeasures would not successfully exert an antimicrobial activity against mirror bacteria if the latter were created. Our results motivate further policy advocacy to curtail research that directly leads to the creation of mirror life.

Matching journals

The top 5 journals account for 50% of the predicted probability mass.

1
Chemical Science
71 papers in training set
Top 0.1%
18.3%
2
Journal of Chemical Information and Modeling
207 papers in training set
Top 0.3%
17.9%
3
The Journal of Physical Chemistry Letters
58 papers in training set
Top 0.2%
6.3%
4
The Journal of Physical Chemistry B
158 papers in training set
Top 0.4%
4.8%
5
Journal of the American Chemical Society
199 papers in training set
Top 1%
4.3%
50% of probability mass above
6
Journal of Chemical Theory and Computation
126 papers in training set
Top 0.3%
3.9%
7
PLOS Computational Biology
1633 papers in training set
Top 10%
3.6%
8
PLOS ONE
4510 papers in training set
Top 41%
3.5%
9
Proceedings of the National Academy of Sciences
2130 papers in training set
Top 21%
3.5%
10
Nature Communications
4913 papers in training set
Top 47%
2.0%
11
JACS Au
35 papers in training set
Top 0.3%
1.9%
12
eLife
5422 papers in training set
Top 39%
1.9%
13
Scientific Reports
3102 papers in training set
Top 56%
1.8%
14
Angewandte Chemie International Edition
81 papers in training set
Top 2%
1.7%
15
ACS Central Science
66 papers in training set
Top 1%
1.7%
16
Biochemistry
130 papers in training set
Top 1%
1.2%
17
Biophysical Journal
545 papers in training set
Top 4%
1.2%
18
Communications Chemistry
39 papers in training set
Top 0.7%
0.9%
19
Physical Chemistry Chemical Physics
34 papers in training set
Top 0.6%
0.9%
20
Computational and Structural Biotechnology Journal
216 papers in training set
Top 8%
0.9%
21
Journal of Medicinal Chemistry
68 papers in training set
Top 1%
0.7%
22
Environmental Science & Technology
64 papers in training set
Top 2%
0.7%
23
The Journal of Chemical Physics
49 papers in training set
Top 0.5%
0.7%
24
RSC Advances
18 papers in training set
Top 2%
0.7%
25
Chemistry – A European Journal
13 papers in training set
Top 0.6%
0.7%
26
Nucleic Acids Research
1128 papers in training set
Top 19%
0.7%
27
ACS Chemical Neuroscience
60 papers in training set
Top 3%
0.6%
28
Chemical Communications
24 papers in training set
Top 1%
0.6%
29
ACS Omega
90 papers in training set
Top 5%
0.6%