Int. Jr. Bioinformatic and Biological Sci. : v.2 n.3 and 4, p. 153-164. Dec. 2014
DOI No. 10.5958/2321-7111.2014.00013.4
Computational analysis of Organobismuth compounds
and their potential application as anti-tumor agents
Sudhanshu Lal 1* , Amit Chattree 1 , Saima Habib Khan 1 and Satendra Singh 2
1 Department of Chemistry, Department of Computational Biology and Bioinformatics,
Jacob School of Biotechnology and Bioengineering, San Higginbottom Institute of
Agriculture, Technology and Sciences, Allahabad-211007, India.
*Corresponding author: sudhanshukumarlal@gmail.com
ABSTRACT
Tumors occur when cells divide and grow excessively in the body. New cells are
created to replace older ones or to perform new functions. Cells that are damaged or
no longer needed die to make room for healthy replacements. If the balance of cell
growth and death is disturbed, a tumor may form. The available anticancer drugs
have distinct mechanisms of action which may vary in their effects on different
types of normal and cancer cells. The effectiveness of many anticancer drugs is
limited by their toxicity to normal rapidly growing cells in the intestinal and bone
marrow areas. Therefore, an attempt was made to obtain the suitable inhibitors
of tumor cells by de novo creation of structurally flattering lead molecules which
were further validated by docking analysis with 2VNA (Structure of Human Zinc-
BindingAlcohol Dehydrogenase 1 (ZADH1) protein. By screening of these results
revealed that organobismuth compound C 27 H 36 BiN 3 ({2-[bis({2-[(dimethylamino)
methyl]phenyl})bismuthanyl]phenyl}methyl)dimethyl was found as the best fit
over Lipinski’s rule of five and other ADME parameters
Keywords: Organobismuth, tumor, Homology Modeling, Ligand receptor
interaction
Organobismuthchemistryisthechemistryoforganometalliccompoundscontaining
a carbon to bismuth chemical bond. According to one reviewer, applications are
rare even though bismuth and bismuth compounds are the least toxic among the
heavy metals and are relatively cheap.The main bismuth oxidation states are Bi(III)
and Bi(V) as in all higher group 15 elements. The energy of a bond to carbon in
this group decreases in the order P > As > Sb > Bi (Elschenbroich and Salzer,
1992) .The first reported use of bismuth in organic chemistry was in oxidation of
alcohols by Challenger in (using Ph 3 Bi(OH) 2 ) (Frederick and Richards, 1934 ).
Knowledge about methylated species of bismuth in environmental and biological
media is very limited. Methylbismuthines and dimethylbismuthines are prepared
by reduction the corresponding methylbismuth chlorides or bromide with LiAlH 4.