|
Docking Studies of Lipase (Mflip1) from Malassezia furfur (Robin) with Propanamide, N-methyl-2-amino and 1-Propanol, 3-(dimethylamino) Predicting Inhibitory Activity
|
|
| Author:
|
A.B. GULWE, D.N MISHRA, K.S. GOMARE
|
| Abstract:
|
Malassezia furfur (Robin) is considered as a causative agent of pityriasis versicolor. It is also associated with seborrheic dermatitis and dandruff formation, folliculitis, confluent and reticulates papillomatosis, and the provocation of psoriatic lesions. The organism has complex lipid requirements for growth, which also explains its occurrence on the skin. The fungus can grow in a yeast phase as well as in a mycelial phase. Many substances for topical application, such as ketoconazole, fluconazole, minoxidil, ciclopirox-olamine, piroctone-olamine, zinc pyrithione, or sulfur-containing substances are advised in the treatment of these diseases. But the control of this fungus is not satisfactory. Hence, Malassezia furfur lipase (Mflip1) inhibition activity was studied in an in silico docking program with Propanamide, N-methyl-2-amino and 1-Propanol, 3-(dimethylamino) after constructing 3D structure built of Mflip1 by Homology modeling in the PDB database. These two phyto-compounds were found in Hibiscus rosa-sinensis flower and leaf ethanolic extracts by GC-MS analysis. The docking results indicated suitable binding of the active site cavity of Malassezial lipase (Mflip1) and caused conformational changes as inhibitory effect by propanamide compounds.
|
| Keyword:
|
Docking, Malassezia furfur; swiss dock; phyto-compounds; Mflip1.
|
| EOI:
|
-
|
| DOI:
|
https://doi.org/10.31838/ijpr/2020.12.01.011
|
| Download:
|
Request For Article
|
|
|