2. Academic Validation
  3. IN-SILICO dynamic analysis of Sulawesi propolis as anti-endometriosis drug: Interaction study with TNF alpha receptor, NF-kB, estrogen receptor, progesterone receptor and prostaglandin receptor

IN-SILICO dynamic analysis of Sulawesi propolis as anti-endometriosis drug: Interaction study with TNF alpha receptor, NF-kB, estrogen receptor, progesterone receptor and prostaglandin receptor

  • Ann Med Surg (Lond). 2021 Jun 17;67:102459. doi: 10.1016/j.amsu.2021.102459.
Herbert Situmorang 1,  Andon Hestiantoro 1,  Sigit Purbadi 1,  Darin Flamandita 2,  Muhamad Sahlan 2
Affiliations

Affiliations

  • 1 Department of Obstetrics and Gynecology Faculty of Medicine Universitas Indonesia - Dr Cipto Mangunkusumo National Referral Hospital, Jl. Salemba Raya No. 6, Central Jakarta, Jakarta Capital Special Region, 10430, Indonesia.
  • 2 Department of Chemical Engineering, Faculty of Engineering, Universitas Indonesia, Jl. Fuad Hasan, Pancoran MAS, Kukusan, Beji, Depok City, West Java, 16424, Indonesia.
PMID: 34194730 DOI: 10.1016/j.amsu.2021.102459
Abstract

Introduction: Endometriosis is a disease that impacts around 10% of all women in reproductive age, with pelvic pain and infertility as its main clinical features. Current medical treatment targeting lowering estrogen activity has not shown sufficient result due its side effects and reproductive function suppression. Propolis has been widely studied, showing anti inflammation and pro-apoptosis property, that could potentially be used in the treatment of endometriosis. This study investigates the interaction between Sulawesi Propolis' active components and receptors and protein related to endometriosis pathogenesis.

Methods: Active components of Sulawesi Propolis were initially identified with their targeted protein receptors. Lipinski rules were used to screen potential components. The ligands and proteins were tested using Autodock program to predict the most active compound and possible binding sites between propolis and some target proteins associated with inflammatory and apoptotic activity in endometriosis models. Receptor modelling is then performed using Swiss-Model.

Results: These active components of Sulawesi Propolis showed a strong binding potential towards TNF- α, NF-kb, Estrogen-α, Estrogen-β, progesterone B, PGE2 EP2 and EP3 subtype respectively: Sanggenon C, Sanggenon H, Epicryptoacetalide, Chrysin-7-O-β-D-glucopyranodside, Irilone, Polydatin and Epicryptoacetalide. Compared to its negative ligand, Sulawesi Propolis displayed a stronger binding capacity to TNF-α, Estrogen-α, and Progesterone B receptors.

Conclusion: Sulawesi Propolis has the ability to interact with receptors related to reproductive function, apoptotic reactions and inflammatory processes, a significant factor associated with the pathogenesis of endometriosis.

Keywords

Docking; Endometriosis; Estrogen receptor; In silico; NF-kB; Progesterone receptor; Propolis; Prostaglandin receptor; TNF alpha Receptor.

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