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DR ANTHONY MELVIN CRASTO Ph.D ( ICT, Mumbai) , INDIA 29Yrs Exp. in the feld of Organic Chemistry,Working for GLENMARK PHARMA at Navi Mumbai, INDIA. Serving chemists around the world. Helping them with websites on Chemistry.Million hits on google, world acclamation from industry, academia, drug authorities for websites, blogs and educational contribution
Molecular modelling and molecular dynamics studies for polymer membrane-biomolecular interactions, enzyme catalyzed reaction, computer-aided drug designing, biomimetic membranes etc. I also used density functional theory method to understand reaction mechanism.
Research gate : Abdul Rajjak Shaikh
Specially Appointed Assistant Professor
SHAIKH ABDUL RAJJAK SHAIKH RAMAJU
Membranes are widely used in water purification. Main aim of our research is to understand membrane fouling phenomenon using computational methods. Molecular dynamics studies are used to investigate polymeric membrane and biomolecular interactions which result in membrane fouling and on the development of new and improved membranes for contaminant removal and water desalination.
Molecular dynamics studies for polymer membrane and foulant interaction to understand membrane fouling phenomenon in water treatment using membranes.
Computational studies for absorption of CO2 in Ionic liquids.
Two series of antifouling microfiltration membranes (MF) with different pure water permeabilities were fabricated using poly(vinyl chloride-co-poly(ethylene glycol)methyl ether methacrylate) (poly(VC-co-PEGMA)) copolymers with different PEGMA segment percentage via nonsolvent-induced phase separation (NIPS) method. For each series of the prepared membranes, the initial pure water permeability was...more
Additives are widely used to suppress aggregation of therapeutic proteins. However, the molecular mechanisms of effect of additives to stabilize proteins are still unclear. To understand this, we herein perform molecular dynamics simulations of lysozyme in the presence of three commonly used additives: arginine, lysine, and guanidine. These additives have different effects on stability of proteins...more
Amino acid ionic liquids (AAILs) are gaining attention because of their potential in CO2 capture technology. Molecular dynamics simulations of AAILs tetramethylammonium glycinate ([N1111][Gly]), tetrabutylammonium glycinate ([N4444][Gly]), and 1,1,1-trimethylhydrazinium glycinate ([aN111][Gly]) and their corresponding mixtures with water were performed to investigate the effect of water...more
Adiponectin is a mammalian hormone that exerts anti-diabetic, anti-cancer and cardioprotective effects through interaction with its major ubiquitously expressed plasma membrane localized receptors, AdipoR1 and AdipoR2. Here, we report a Saccharomyces cerevisiae based method for investigating agonist-AdipoR interactions that is amenable for high-throughput scale-up and can be used to study both...more
Enzymatic hydrolysis of nucleotide triphosphate (NTP) plays a pivotal role in protein functions. In spite of its biological significance, however, the chemistry of the hydrolysis catalysis remains obscure because of the complex nature of the reaction. Here we report a study of the molecular mechanism of hydrolysis of adenosine triphosphate (ATP) in F1-ATPase, an ATP-driven rotary motor protein....more
The dynamics of a protein plays an important role in protein functionality. Here, we examine the differences in the dynamics of a minimally restructuring protein, EcoRI, when it is bound to its cognate DNA and to a noncognate sequence which differs by just a single basepair. Molecular dynamics simulations of the complexes and essential dynamics analyses reveal that the overall dynamics of the...more
We examine the interaction of aromatic residues of proteins with arginine, an additive commonly used to suppress protein aggregation, using experiments and molecular dynamics simulations. An aromatic-rich peptide, FFYTP (a segment of insulin), and lysozyme and insulin are used as model systems. Mass spectrometry shows that arginine increases the solubility of FFYTP by binding to the peptide, with...more
Arginine is one of the commonly used additives to enhance refolding yield of
proteins, to suppress aggregation of proteins, and to increase solubility of proteins, and yet
the molecular interactions that contribute to the role of arginine are unclear. Here, we
present experiments, using bovine serum albumin (BSA), lysozyme (LYZ), and β-
lactoglobulin (BLG) as model proteins, to show that...more