ChemDP

Chemical compounds or substances produced by natural sources are called natural products. Natural source can be plants, fungi, small living organisms and animals. Plant kingdom is on lead for producing natural products. Natural products are divided into many classes including alkaloids, steroids, sterols, terpenoids, polyphenols, nicotine, quinine, paclitaxel, morphine etc.
Chemical Database of Pakistan is a chemical structure database, which is freely available for researchers provided they acknowledge ChemDP in their published papers and presentations. ChemDP has been preferentially designed to accommodate Natural Products of Pakistan and their chemical derivatives.
All the chemical structures available in ChemDP have been prepared and built using Gabedit followed by the 3D geometry optimization using latest PM7 semi-empirical method with gradient < 0.1. ChemDP offers chemical structures with many other parameters as follows:

2D structure: The 2D mol file for a structure can be downloaded from the given link.
3D structure: The 3D mol2 file for a structure can be downloaded from the given link.
Image File: Images for a structure can be downloaded by clicking "save as" link, and can be saved to the desired drive on your computer.

Features:

Features described for each structure include:

  • Plant/Animal name: This section includes the name of Plant or animal which is the source of that chemical compound.
  • Origin: In this section name of places are described which is the origin of that chemical structure.
  • Class of Natural Products: Chemical structure belongs to which class of natural products is described in this section.
  • Biological Activity: This section includes the biological activities of that compound such as antioxidant, antitumor etc.

Assays Applied:

This section describes the applied bioassays on each compounds, and provides IC50 values in ul,, % inhibition, standard inhibitors etc.

References:

A reference to the source is given from where all the information has been taken for the chemical structures.

Note:

As all the structures have been built through software, which have been duly verified. In any case, if you find any mistake in the structure, or wish to give us any suggestion to improve the quality of database, you are more than welcome. You may access us at qaiser.fatmi@comsats.edu.pk