In the present time, the emergence of Cancer is one of the crucial challenge for Bioinformaticians. The Enormous growth of cancer patient is now increasing worldwide due to its multidimensional complication. It is a group of diseases in which cells are aggressive (grow and divide without respect to normal limits), invasive (invade and destroy adjacent tissues), and sometimes metastatic (spread to other locations in the body). Nearly all cancers are caused by abnormalities in the genetic material of the transformed cells. These abnormalities may be due to the effects of carcinogens, such as tobacco smoke, radiation, chemicals, or infectious agents. Other cancer-promoting genetic abnormalities may be randomly acquired through errors in DNA replication, or are inherited, and thus present in all cells from birth. The tumor is formed from uncontrolled growth of cell. The apoptosis is a cell death mechanism which control cell growth. Current research showing the BCL2 protein family playing an important role in cancer. It is present on outer membrane of mitochondria, consisting 239 amino acids. It suppress apoptosis, regulates cell death by controlling the mitochondrial membrane permeability. It also inhibits caspase activity either by preventing the release of cytochrome c from the mitochondria and/or by binding to the apoptosis activating factor (APAF-1). Hypermethylation is one of the effective concept in the origin of Cancer, due to extra methylation at the 5th carbon of the cytosine residues. In our approach, we have to show the binding interaction in between BCL2 and a small ligand, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE and using this ligand (C36H30N4O5S3)it is supposed to become inactivated. They are closely attached to active site of BCL2 protein and then deactivate the protein. Thus, according to the concept of protein-ligand interaction in near future, these molecules can be used as drug in the treatment of cancer.

Schizophrenia is psychiatric diagnosis that describes a neuropsychiatric abnormality and mental disorder. As per the current research status of this hazardous disorder, we built a model of a target sequence that is our interested sequence is a protein sequence of schizophrenia which is not yet predicted. There are no unambiguously homologous structure in PDB though there are clues that can be brought together to align ate target with a possible template and build model. We may no claims that the model is correct; its purpose is to illustrate the kind of processes to build a partial 3D model of a protein based on a distant similarity. The process for building an initial homology model starts with searching homology model from PDB by both FASTA and BLAST. Then we put the sequence for secondary structure prediction into HNN. We also calculated physical properties of that sequence with the help of ProtParam then after that we used three well known methods to calculate 3D structure of our sequence of interest. First of all we find the homologous sequence from PDB search then we put that sequence in Swiss model to find the template sequence and after that put query sequence for modeling structure using template. Second method we used is Geno3D, by that we find template according to the sequence similarity. We got sequence list from that we selected three templates and the result is in the form of Ramachandran plots and also with PDB file. The third method is offline method using MODELLER software. The template found from sequence similarity and our target protein sequence we put together into alignment files written in Python and got PDB file of our query. We also calculated the structural alignment of query and target (structure from modeller) with the help of Combinatorial Extension (CE). At the last we verified the modeled 3D structure with help of verify 3D from NCBI.