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Prodigiosi N Serralysi N Histone Deacetylas E Protease Chitinase B Final Score ACE Final Score ACE Final Score ACE Final Score ACE Final Score ACE

This document provides the results of computational modeling to predict the binding affinities between several proteins and candidate drug compounds. The modeling generated negative or low positive scores for most of the protein-compound pairs, indicating weak or non-binding interactions. The highest positive score was 287.0 for the interaction between cyclooxygenase 2 and one of the candidate compounds.

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33 views1 page

Prodigiosi N Serralysi N Histone Deacetylas E Protease Chitinase B Final Score ACE Final Score ACE Final Score ACE Final Score ACE Final Score ACE

This document provides the results of computational modeling to predict the binding affinities between several proteins and candidate drug compounds. The modeling generated negative or low positive scores for most of the protein-compound pairs, indicating weak or non-binding interactions. The highest positive score was 287.0 for the interaction between cyclooxygenase 2 and one of the candidate compounds.

Uploaded by

John
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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HISTONE

PRODIGIOSI SERRALYSI DEACETYLAS


PDB N N E PROTEASE CHITINASE B
COMPOUND ID/PubChe Final Final Final Final Final
S m CID score ACE score ACE Score ACE Score ACE Score ACE
-
Negativ Negativ 198.5
BH3 4cim e -358 - - - - e 8 - -
- -
Negativ 307.8 Negativ 122.4
5-Lipoxygenase 3o8y e 4 - - - - e 5 - -
Xanthine Negativ -
Oxidoreductase 2ckj e -364 - - Negative 216.02 - - - -
- -
Negativ 232.9 Negativ Negativ 287.0
Cyclooxygenase 2 5f19 e 1 - - - - e -62.63 e 8
Fibrinogen 3ghg - - Negative -382 - - - - - -
-
44.8
RAS GTPase 4m22 - - Negative 8 - - - - - -

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