From:  Molecular mechanism analysis and network pharmacology of capsaicin in Alzheimer’s and Parkinson’s diseases: an in silico study

 The detailed molecular docking information of CAP with hub proteins.

Gene symbolProteinFunctiona∆Gb (kcal/mol)Residues
IL6Interleukin-6The protein is a potent inducer of the acute phase response.–5.8GLU87-LEU90-ASN91-LEU92 PRO93-LYS94-MET95-PHE102-PHE122-LEU193-ILE194-ARG196-SER197-PHE198-LYS199-GLU200-PHE201-LEU202-GLN203-SER204-ARG207
GSK3BGlycogen synthase kinase-3 betaActive protein kinase that acts as a negative regulator in the hormonal control of glucose homeostasis.–4.0ARG6-THR7-THR8-SER9 PHE10-ALA11-GLU12-VAL17-GLN18-GLN19-PRO20-SER21-ALA22-PHE23-ASP49-SER66-PHE67-GLY68-LYS85-VAL87-LEU88-GLN89-ASP90-LYS91-ARG92-PHE93-LYS94-ASN95-ARG96-GLU97-LEU98-GLN99-ARG102-PHE115-TYR117-VAL126-PHE201-GLY202-ALA204
CASP3Caspase 3The protein plays a central role in the execution phase of cell apoptosis.–6.5MET61-THR62-SER63 HIS121-GLY122-GLU123-PHE128-CYS163-LEU168-TYR204-SER205-TRP206-ARG207-ASN208-SER209-TRP214-SER249-PHE250-SER251-PHE252-ASP253-PHE256
BCL2Apoptosis regulator Bcl-2An integral outer mitochondrial membrane protein that blocks the apoptotic death of some cells.–5.1SER97 ARG98 SER99-ALA100-PRO101-PRO102-ASN103-LEU104-TRP105-ALA106-ALA107-GLN108-ARG109-TYR110-GLY111-ARG112-GLU113-ARG115-ARG116
ESR1Estrogen receptor 1An estrogen receptor and ligand-activated transcription factor.–8.4MET343-LEU345-LEU346-THR347-LEU349-ALA350-GLU353-TRP383-LEU384-LEU387-MET388-GLY390-LEU391-ARG394-LEU402-LEU403-PHE404-MET421-ILE424-PHE425-LEU428-GLY521-MET522-HIS524-LEU525-LEU540
SIRT1Sirtuin 1Studies suggest that the human sirtuins may function as intracellular regulatory proteins with mono-ADP-ribosyltransferase activity.–8.7GLY261-ALA262-GLY263-ASP272-PHE273-ARG274-SER275-TYR280-GLN294-PHE297-GLN345-ASN346-ILE347-HIS363-GLY364-ILE411-VAL412-PHE413-PHE414-GLY415-GLU416-LEU418-GLY440-SER441-SER442-LEU443-LYS444-VAL445-ARG446-PRO447-ASN465-ARG466-GLU467
NGFNerve growth factorProtein involved in the regulation of growth and the differentiation of sympathetic and specific sensory neurons.–6.8LEU44-ALA47-LEU48-ARG50-ALA51-ALA54-PRO55-ALA56-ALA57-ALA58-ILE59-ALA60-ARG81-LEU82-ARG83-SER84-ASP151-ILE152-LYS153-THR206-PHE207-VAL208-LYS209-ASP214-GLN217-ALA219-TRP220-ARG221-PHE222
IGF1Insulin-like growth factor 1Protein is involved in mediating growth and development.–6.4LEU35-LEU37-CYS38-LEU39-THR41-PHE42 SER45-LEU53-GLU57-LEU58-ASP60-ALA61-PHE64-VAL65-CYS95-CYS96-ARG98-SER99-CYS100-ASP101-LEU102-LEU105
HMOX1Heme oxygenase 1An enzyme in heme catabolism.–7.1LEU17-LYS18-GLU19-THR21-LYS22-HIS25-THR26-ALA28-GLU29-MET34-GLN38-VAL50-LEU54-TYR58-TYR114-TYR134-THR135-ARG136-TYR137-LEU138-GLY139-ASP140-SER142-GLY143-GLY144-VAL146-LEU147-ILE150-PHE166-PHE167-ARG183-PHE207-ASN210-PHE214-LEU272-LEU274-SER275-PHE276

a: Information is taken from the National Library of Medicine (NIH) page; b: the outcomes represent the values with a high binding activity.