Phytochemical and pharmacological profile of genus shorea: A review of the recent literature.

In tropical Southeast Asia, Shorea is the most economically important tree and the largest genus in the Dipterocarpaceae family. It comprises about 150-200 species, of which majority are distributed in Malaysia, with others found in Sumatra and Borneo (Kalimantan) in Indonesia. Research on the chemical constituents of Shorea plants has been ongoing for many years. To date, a total of 113 different compounds, including 83 stilbenes and their resveratrol oligomers, 18 triterpenes/terpenoids, 7 coumarins 3 flavonoids and 2 steroids have been isolated and successfully elucidated from 26 different species of this genus. The diversity of the stilbene resveratrol oligomers in the Shorea genus is primarily due to the difference in the amount of resveratrol constituent units, which include dimers, trimers and tetramers. In addition to the species' traditional usage in the treatment of illnesses, such as diarrhea, toothaches, skin diseases, ear troubles and wounds, the extracts and secondary metabolite compounds isolated from various parts of the plant species are known to have a very potent antioxidant, antimicrobial, anticancer, anti-diabetic, anti-obesity, antiulcer, hepatoprotective and nephroprotective activities. This review aims to summarize the most recent research made from 1999 to date on the secondary metabolite compounds isolated from different species of genus Shorea, as well as the bioactivity (in vitro and in vivo) of the crude extracts and the isolated secondary metabolite compounds.

A new pyrano coumarin from Clausena excavata roots displaying dual inhibition against α-glucosidase and free radical.

A new pyrano coumarin, identified as excavatin A (1) together with two known compounds nordentatin (2) and binorpocitrin (3) was isolated from the 95% EtOH extract of Clausena excavata. All structures were elucidated by using spectroscopy methods such as extensive NMR and HR-FAB-MS spectrometry. All the isolated compounds were tested on antidiabetes activity by using α-glucosidase inhibition assay and the antioxidant activity by DPPH assay. Compounds 1-3 showed antioxidant activity with IC50 values 0.286, 0.02, 0.278 mM. Among them, 2 exhibited inhibition activity against maltase (IC50 5.45 µM) and sucrase (IC50 43.57 µM). However, compounds (1) and (3) displayed inhibition on yeast α-glucosidase with IC50 values 1.92 and 5.58 mM.[Figure: see text].

In silico approach: biological prediction of nordentatin derivatives as anticancer agent inhibitors in the cAMP pathway.

A combination of computational techniques has been carried out to predict the binding of nordentatin derivatives based on pyranocoumarin semi-synthesis with the target protein from the expression of the PDE4B gene. The inhibition of the cAMP pathway is the main target of anti-cancer drugs, which is responsible for uncontrolled cell division in cancer. Modeling was done using a combination of semi-empirical methods and the density functional theory (PM3-DFT/6-31G*/B3LYP) to obtain the optimal structure of a small ligand that could be modeled. Studies on the interaction of the ligands and amino acid residues on protein targets were carried out using a combination of molecular docking and molecular dynamic simulation. Molecular docking based on functional grid scores showed a very good native ligand pose with an RMSD of 0.93 Å in determining the initial coordinates of the ligand-receptor interactions. Furthermore, the amino acid residues responsible for interaction through H-bonds were Tyr103, His104, His177, Met217, and Gln313. The binding free energy (kcal mol-1) results of the candidates were PS-1 (-36.84 ± 0.31), PS-2 (-35.34 ± 0.28), PS-3 (-26.65 ± 0.30), PS-5 (-42.66 ± 0.26), PS-7 (-35.33 ± 0.23), and PS-9 (-32.57 ± 0.20), which are smaller than that of the native ligand Z72 (-24.20 ± 0.19), and thus these have good potential as drugs that can inhibit the cAMP pathway. These results provide theoretical information for the efficient inhibition of the cAMP pathway in the future.