Research Article

[Retracted] Targeting Streptomyces-Derived Streptenol Derivatives against Gynecological Cancer Target PIK3CA: An In Silico Approach

Table 4

Molecular docking study between streptenol derivatives along with PIK3CA revealed the kind of interactions and bonding distance and the interacting residues.

Streptenol derivativesInteracting atomsBond distance (A0)Bond type

Streptazolin-11769676Streptazolin:H19-A:VAL851:O2.56512Carbon hydrogen bond
Streptazolin:H19-A:SER854:OG2.99151Carbon hydrogen bond
A:VAL850-streptazolin5.09434Alkyl
A:MET922-streptazolin5.21562Alkyl
A:TRP780-streptazolin5.02045Pi-alkyl
Streptenol D-10947351A:SER854:OG-streptenol D:O13.22236Conventional hydrogen bond
Streptenol D:H26-A:GLU849:O2.0072Conventional hydrogen bond
Streptenol D:H14-A:SER854:OG3.05414Carbon hydrogen bond
A:TRP780-streptenol D:C135.43126Pi-alkyl
10921190-streptenol CA:SER854:OG-streptenol C:O12.83465Conventional hydrogen bond
Streptenol C:H21-A:VAL851:O2.55821Conventional hydrogen bond
Streptenol C:H23-A:GLU849:O2.69578Conventional hydrogen bond
Streptenol C:H20-A:GLU849:O1.83534Carbon hydrogen bond
A:ARG852-streptenol C:C134.48454Alkyl
132967418-streptenol GA:VAL851:N-streptenol G:O22.88574Conventional hydrogen bond
A:SER854:OG-streptenol G:O32.75294Conventional hydrogen bond
Streptenol G:H42-A:SER854:OG2.02097Conventional hydrogen bond
Streptenol G:H31-A:SER854:OG2.32419Carbon hydrogen bond
Streptenol G:H38-A:SER854:O2.2941Carbon hydrogen bond
Streptenol G:H38-A:SER854:OG2.89904Carbon hydrogen bond
Streptenol G:C22-A:ILE8484.59251Alkyl
Streptenol G:C22-A:ILE9324.14713Alkyl
132967420-streptenol IStreptenol I:H37-A:GLU849:O2.75816Carbon hydrogen bond
Streptenol I:C22-A:MET9225.35331Alkyl
Streptenol I:C22-A:ILE9325.4146Alkyl
A:TRP780-streptenol I:C255.1071Pi-alkyl
132967419-streptenol HStreptenol H:H40-A:VAL851:O2.94788Conventional hydrogen bond
A:ARG852-132967419:C243.50435Alkyl
Streptenol H:C25-A:ILE9324.20838Alkyl
132967417-streptenol FA:ASN853:N-streptenol F:O23.20635Conventional hydrogen bond
Streptenol F:H26-A:SER854:O2.42357Conventional hydrogen bond
Streptenol F:H26-A:SER854:OG2.42369Conventional hydrogen bond
Streptenol F:H15-A:SER854:O2.32294Carbon hydrogen bond
Streptenol F:H23 A:GLN859:OE12.83208Carbon hydrogen bond
Streptenol F:C14-A:VAL8514.754Alkyl
Streptenol F:C14-A:ILE9325.02592Alkyl
A:TYR836-streptenol F:C143.37793Pi-alkyl
A:PHE930-streptenol F:C145.43637Pi-alkyl
15675440-streptenol BA:SER854:OG-streptenol B:O23.20635Conventional hydrogen bond
Streptenol B:H26-A:VAL851:O2.42357Conventional hydrogen bond
Streptenol B:H26-A:SER854:OG2.42369Conventional hydrogen bond
Streptenol B:H30-A:GLU849:O2.83208Conventional hydrogen bond
Streptenol B:C13-A:MET7724.754Alkyl
A:TRP780-15675440:C135.02592Pi-alkyl
10609345-streptenol EA:SER854:OG-streptenol E:O12.68539Conventional hydrogen bond
Streptenol E:H28-A:VAL851:O2.72975Conventional hydrogen bond
Streptenol E:H28-A:SER854:OG3.04873Conventional hydrogen bond
Streptenol E:H29-A:VAL851:O2.39476Conventional hydrogen bond
Streptenol E:C16-A:ILE8484.50287Alkyl
Streptenol E:C16-A:ILE9324.13859Alkyl