Ethnobotanical and alkaloid composition with their cytotoxicity of Tabernaemontana polyneura: A review with in silico...

Tabernaemontana is a genus of plants traditionally used to treat various diseases, such as syphilis. Many cytotoxic indole alkaloids were isolated and characterized from plants of this genus, suggesting their potential applications as chemotherapeutical drugs or drug leads. Nonetheless, the Malaysian native species Tabernaemontanapolyneura was relatively unknown. This study provides an overview of the botany, ethnobotany, phytochemistry, and in silico ADMET analysis of cytotoxic alkaloids isolated from T. polyneura.

A comprehensive literature search was conducted using the SciFinder, Google Scholar, Science Direct, and PubMed databases. Relevant articles were screened based on predefined inclusion and exclusion criteria to summarize the botany, ethnobotany, and alkaloid composition of T. polyneura. Additionally, the pharmacokinetic properties of the cytotoxic alkaloids were computationally assessed using SwissADME and OSIRIS Data Warrior.

T. polyneura, a species primarily found in Malaysia, has 79 alkaloids isolated over the past 35 years, with 16 newly identified in 2023. Among them, 26 alkaloids had undergone cytotoxic assessment. In silico analyses suggest that most cytotoxic alkaloids comply with Lipinski's rule of five and Veber's rule and do not cause organ and systemic toxicity.

The cytotoxicity and good bioavailability of the alkaloids and in silico data highlight their potential for further pharmacological investigation and drug development. Future research should focus on in vitro and in vivo validation to explore their therapeutic viability.