Effect of Cycas pectinata Seed Extract on Testicular Steroidogenesis in a Mouse Model

Table 1

Binding affinity and the residues involved in the interaction of phytochemical compounds with CYP19A1.

Compounds	Binding affininity (kcal/Mol)	Residues involved in H-bond	Residues involved in other interactions (π-alkyl and alkyl)
3-Didehydro-5-dehydroxyhydratoperidinin	-10.1	Cys437, Ala438	Ile132, Ile133, Phe134, Phe138, Leu152, Phe221, Val370, Val373
6-Epiheteroxanthin	-8.7		Ile133, Phe134, Phe221, Trp224, Ile305, Ala306, Val364, Val369, Val370, Leu372, Met374, Phe430, Cys437, Ala438, Ala443, Leu477
Astaxanthin	-9.9	Arg115, Arg145, Thr310, Ser314	Ile133, Trp224, Met364, Val369, Val370, Phe430, Ala306, Cys437, Ala438
Auroxanthin	-8.2	Ala438, Gly439	Ile132, Ile133, Phe148, Leu152, Phe221, Met303, Ala306, Val370, Val373, Cys437, Leu477
Corbiculaxanthin	-9.8	Arg145, Thr310	Ile133, Phe148, Phe221, Trp224, Ile305, Ala306, Met364, Val369, Val370, Val373, Phe430, Cys437, Ala438
Cucurbitaxanthin_A	-9.2		Ile132, Ile133, Phe134, Leu152, Phe221, Trp224, Ala306, Val370, Phe430, Cys437, Ala438, Leu477
Cycloviolaxanthin	-8.3		Ile132, Ile133, Phe134, Phe148, Leu152, Trp224, Met303, Ile305, Ala306, Met364, Val369, Val370, Phe430, Cys437, Ala438
Halocynthiaxanthin	-9.3	Ala306	Ile133, Phe148, Phe221, Met364, Val370, Val373, Phe430, Cys437, Ala438
Ipomoeaxanthin_A	-9.3	Ser314, Cys437	Ile132, Ile133, Phe148, Leu152, Trp224, Ala306, Met364, Val369 Val370, Val373, Ala438, Phe430
Mactraxanthin	-9.5	Cys437	Ile133, Phe134, Phe221, Ala306, Ala307, Val370, Val373, Met374, Phe430, Leu477
Pyrrhoxanthinol	-9.7	Arg115, Leu372, Pro429	Ile305, Ile306, Phe134, Phe148, Leu152, Phe221, Trp224, Val370, Val373, Cys437, Ala438, Leu477
Pyrrhoxathinol 5,8-furanoide	-9.2	Arg115, Arg145, Ala438	Ile132, Ile133, Phe148, Phe221, Trp224, Ala306, Val370, Gly436, Cys437