Absorption, Distribution and Toxicity Prediction of Curculigoside A and its Derivatives

Abstract

Curculigoside A is a major bioactive phenolic glycoside of the medicinal plant of Curculigo orchioides. The present study was intended to obtain detail information of the pharmacokinetic properties including oral absorption, distribution, metabolism and toxicity of curculigoside A and its derivatives using in silico methods. Pharmacokinetic properties, absorption as well as distribution prediction using parameters of HIA (Human Intestinal Absorption), plasma protein binding, and permeability to Caco-2 cells were studied using the PreADMET and Toxtree package. The result showed that curculigoside A has absorption properties and permeability (permeability: middle) at medium level, and weakly bound to plasma proteins. Aglycone of curculigoside A was predicted to have good absorption properties and its permeability (permeability: middle) at medium level, and weakly bound to plasma proteins. Its derivatives, compounds of (2), (3), (4), (5), and (12), showed better absorption and distribution properties than that of curculigoside A. Toxicity prediction of curculigoside A and its derivatives showed no mutagenic or carcinogenic properties.

Sirih (Piper betle) folium as new candidate for anti-herpes virus: In-silico study

“…The value of % plasma protein binding is strong if protein binding > 90% and weak binding <90% [14]. The carcinogenicity prediction method utilizes the results of such short-term tests to screen for chemicals that are most likely to cause cancer [15,16]. If the mutagenic result is positive, it means no change of population (vs. blank plate).…”

SKRINING VIRTUAL ANTIKANKER PAYUDARA DARI SENYAWA AKTIF AKAR MURBEI HITAM (Morus nigra L.)

“…Dapat disimpulkan, metode yang telah digunakan telah memenuhi persyaratan yaitu nilai AUC100 ≥ 70%. 8,9 Parameter-parameter untuk penentuan afinitas senyawa uji terhadap reseptor yaitu (KI) konstanta inhibisi dan (ΔG) nilai ikatan energi. Afinitas ligan semakin tinggi jika nilai KI semakin kecil dan nilai (ΔG) semakin negatif.…”

Docking Senyawa Aglikon Kurkuligosida a Dan Turunannya Terhadap Enzim Aldosa Reduktase

“…Kurkuligosida A adalah senyawa glikosida fenolik yang diisolasi dari rimpang Curculigo orchioides (Valls et al, 2006). Aglikonnya diprediksi memiliki sifat penyerapan yang baik, permeabilitasnya pada tingkat sedang, dan terikat lemah pada protein plasma (Nursamsiar et al, 2015).…”