Objective:

2

To map the potent antifungal properties of the medicinal plant

Vitex negundo

in vitro

and

in silico

studies were performed to decipher the pharmacokinetics and ADMET (Absorption

Distribution

Metabolism

Excretion

and Toxicity) properties of their phytoconstituents.

Methods:

2

With the PASS (Prediction of Activity Spectra for Substances) prediction tool

many parameters of

V. negundo

phenolics were examined

including drug-likeness

bioavailability

antifungal activity

and anti-biofilm activity. Moreover

ADMET parameters were also determined.

Results:

2

Eighteen phenolic compounds from

V. negundo

with significant antifungal activity against

Candida

species (human fungal pathogens) were detected. The antioxidant activity

inhibition percentage

and minimum inhibitory concentration value of

V. negundo

phenolic extracts indicate it as an effective antifungal agent for the treatment of candidiasis caused by the fungal pathogen

Candida albicans

. Many phenolic compounds showed a significantly high efficiency against

Candida's

planktonic cells and biofilm condition.

Conclusion:

2

The phenolics fraction of

V. negundo

has potent antifungal activities

however

some more pre-clinical studies are a matter of future research to further investigate

V. negundo

phenolic compound as a potential new antifungal arsenal.