Abstract
Increased levels of locus-specific mutations within the BLM result in development of Bloom Syndrome and patients are found to be immune deficient. HRDC domain amino acid Lys1270 is presumably to play role in mediating interactions with DNA. Single point mutation of Lys1270 (K1270V) reduces the potency of Double Holliday junction (DHJ) DNA unwinding so BLM lead to its functional loss. Quadruplex formation have role in immunoglobulin heavy chain switching and inhibiting RecQ helicases activity in-vitro in BLM. Variety of G-Quadruplex ligands are employed by molecular docking for arriving at lead compound identification. The scoring function of docking results describes protein-ligand interaction and it conjointly instructed that docking of ligand at mutational binding site shows some repressing function to make potential lead drug molecule. So as to know the elaborated purposeful functional mechanism of protein and to relate impact of mutation with function and activity; dock screening, hit identification and lead optimization facilitate in design of lead drug compound.DOI: http://dx.doi.org/10.3126/ijasbt.v2i2.10086Int J Appl Sci Biotechnol, Vol. 2(2): 152-159
Highlights
BLM is a member of the RecQ family of helicases and is a 1417 amino acid protein, which was mapped to the long arm of chromosome 15 (15q26.1) (Ellis et al, 1995)
On the basis of these finding, we propose that BLM HRDC involves in protein-DNA interactions
One proficient approach to drug discovery is virtual screening of molecule database for conducting virtual screening, use G-Quadruplex ligand database containing compounds. These compounds were first screened for drug like properties using Lipinski rule of 5 as filter 800 GQuadruplex database ligands, remaining 251 compounds passed the screening through MDDR like rule which filter 110 ligand molecule and these ligand were subsequently analyzed for binding patterns using docking method by Molegro virtual docker (MVD), which generate 48 poses of ligands
Summary
CrossRef, Google Scholar, Global Impact Factor, Genamics, Index Copernicus, Directory of Open Access Journals, WorldCat, Electronic Journals Library (EZB), Universitätsbibliothek Leipzig, Hamburg University, UTS (University of Technology, Sydney): Library, International Society of Universal Research in Sciences (EyeSource), Journal Seeker, WZB, Socolar, BioRes, Indian Science, Jadoun Science, Jour-Informatics, Journal Directory, JournalTOCs, Academic Journals Database, Journal Quality Evaluation Report, PDOAJ, Science Central, Journal Impact Factor, NewJour, Open Science Directory, Directory of Research Journals Indexing, Open Access Library, International Impact Factor Services, SciSeek, Cabell’s Directories, Scientific Indexing Services, CiteFactor, UniSA Library, InfoBase Index, Infomine, Getinfo, Open Academic Journals Index, HINARI, etc. VIRTUAL SCREENING AND MOLECULAR DOCKING STUDY OF BLOOM’S SYNDROME PROTEIN (BLM) FOR FINDING POTENTIAL LEAD DRUG CANDIDATE
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