TIPdb: A Database of Anticancer, Antiplatelet, and Antituberculosis Phytochemicals from Indigenous Plants in Taiwan

Abstract

The unique geographic features of Taiwan are attributed to the rich indigenous and endemic plant species in Taiwan. These plants serve as resourceful bank for biologically active phytochemicals. Given that these plant-derived chemicals are prototypes of potential drugs for diseases, databases connecting the chemical structures and pharmacological activities may facilitate drug development. To enhance the utility of the data, it is desirable to develop a database of chemical compounds and corresponding activities from indigenous plants in Taiwan. A database of anticancer, antiplatelet, and antituberculosis phytochemicals from indigenous plants in Taiwan was constructed. The database, TIPdb, is composed of a standardized format of published anticancer, antiplatelet, and antituberculosis phytochemicals from indigenous plants in Taiwan. A browse function was implemented for users to browse the database in a taxonomy-based manner. Search functions can be utilized to filter records of interest by botanical name, part, chemical class, or compound name. The structured and searchable database TIPdb was constructed to serve as a comprehensive and standardized resource for anticancer, antiplatelet, and antituberculosis compounds search. The manually curated chemical structures and activities provide a great opportunity to develop quantitative structure-activity relationship models for the high-throughput screening of potential anticancer, antiplatelet, and antituberculosis drugs.

In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel

“…All models were trained, tested and evaluated on a dataset comprised of 3206 experimental drugs and 1347 approved drugs of DrugBank 2.5. All QSAR models were developed using open source software packages like PaDEL, WEKA, SVM_Light (Dhanda et al, 2013) 'Three-dimensional' structures of each phytochemicals were obtained from TIPdb database and have either anti-tuberculosis, anti-cancer, anti-platelet, or no therapeutic properties (Lin et al, 2013).…”

Application of Computer Modeling to Drug Discovery: Case Study of PRK1 Kinase Inhibitors as Potential Drugs in Prostate Cancer Treatment

“…Known cancer drugs have been included in several databases, including ChEBI [43], ChEMBL [44], DrugBank [46], EpiDBase [48], NANPDB [51], NCI-DIS, NCI-DTP, and NCI-FDA [52], along with SANCDB [54], SuperDrug [55], p-ANAPL [58], PubChem [59], and ZINC15 [60]. However, those with tested and proven in vitro activities against known cancer cell lines and/or with known in vivo activities only include CancerDR [41], OAA [53], and SYFPEITHI [56], along with the NP libraries: AfroCancer [40], CancerHSP [42], CHMIS-C [43], InPACdb [49], MAPS [50], NPACT [7], and TIPdb [57].…”

Current situation and future usage of anticancer drug databases

“…in/taxane/Taxkb). (2) Taiwan indigenous plants database (TIPdb) [24] is the first database that serves as a comprehensive and standardized resource for anticancer, antiplatelet, and anti-tuberculosis phytochemicals from plants in Taiwan. In 2014, TIPdb-3D [25], a three dimensional chemical structure database, was developed based on TIPdb, which aims to help discovery new pharmacological active compounds (http://cwtung.kmu.edu.tw/tipdb).…”