A5030492107- Protein Structure and Dynamics
- RNA and protein synthesis mechanisms
- Free Radicals and Antioxidants
- Cancer therapeutics and mechanisms
- Computational Drug Discovery Methods
- Enzyme Structure and Function
- Spectroscopy and Quantum Chemical Studies
- Advanced Chemical Physics Studies
- Antibiotic Resistance in Bacteria
- Photoreceptor and optogenetics research
- Insect and Pesticide Research
- Electron Spin Resonance Studies
- Animal Virus Infections Studies
- DNA and Nucleic Acid Chemistry
- Enzyme Production and Characterization
- bioluminescence and chemiluminescence research
- Biochemical and Molecular Research
- Crystallography and molecular interactions
- nanoparticles nucleation surface interactions
- Advanced NMR Techniques and Applications
- Viral Infections and Immunology Research
- Bacterial Genetics and Biotechnology
- Nicotinic Acetylcholine Receptors Study
- Hormonal and reproductive studies
- Viral gastroenteritis research and epidemiology
Tarbiat Modares University
2016-2024
Pasteur Institute of Iran
2022-2024
Biotechnology Research Center
2022-2024
National Synchrotron Radiation Research Center
2017-2020
Caprazamycin is a nucleoside antibiotic that inhibits phospho-N-acetylmuramyl-pentapeptide translocase (MraY). The biosynthesis of antibiotics has been studied but still far from completion. present study characterized enzymes Cpz10, Cpz15, Cpz27, Mur17, Mur23 out caprazamycin/muraymycin biosynthetic gene cluster, particularly the nonheme αKG-dependent enzyme Cpz10. Cpz15 β-hydroxylase converting uridine mono-phosphate to 5' aldehyde, then incorporating with threonine by Mur17 (Cpz14) form...
Phospho-N-acetylmuramoyl-pentapeptide translocase (MraYAA) from Aquifex aeolicus is the binding target for nucleotide antibiotic muraymycin D2 (MD2). MraYAA in presence of MD2 ligand has been crystallized and released, while interactions between active-site residues remain less quantitatively qualitatively defined. We characterized theoretically key involved noncovalent with active site. applied quantum theory atoms molecules natural bond orbital analyses based on density functional method...
The protrusion domain (P-domain; MrNVPd) of Macrobrachium rosenbergii nodavirus (MrNV) exists in two conformations, parallel and X-shaped. We have performed a theoretical study to gain insight into the nature dimeric interactions involving interfaces within X-shaped conformations MrNVPd by applying quantum theory atoms molecules (QTAIM) natural bond orbital (NBO) analyses framework density functional (DFT) approach. results reveal that dimer-dimer hydrogen bonds common types. Leu255-Lys287,...
Tunicamycin (TUN) is a nucleoside antibiotic with complex structure comprising uracil, tunicamine sugar, N-acetylglucosamine (GlcNAc), and fatty acyl tail moieties. TUN, known as canonical inhibitor, blocks vital functions of certain transmembrane protein families, for example, the insect enzyme dolichyl phosphate α-N-acetylglucosaminylphosphotransferase (DPAGT1) Spodoptera frugiperda bacterial phospho-N-acetylmuramoylpentapeptide translocase (MraYCB) Clostridium bolteae. Accurate...
Abstract The bacterial transmembrane enzyme Phospho‐ N ‐acetylmuramoyl‐pentapeptide translocase from Aquifex aeolicus (MraY AA ) plays an important role in the peptidoglycan biosynthesis of cell wall. natural‐product nucleoside inhibitors such as capuramycin, carbacaprazamycin, and 3′‐hydroxymureidomycin A block biosynthetic pathway MraY by inhibiting its function. Since these have distinct complex chemical structures, strengths ‐inhibitor interactions strongly depend on inhibitory...
Abstract The protrusion-domain (P-domain) of Penaeus vannamei nodavirus (PvNV) exists as two dimer-dimer conformations: one is a protein dimer and the other tetramer. We undertook theoretical study to gain clear understanding nature stabilizing interactions at dimeric interfaces tetrameric conformations PvNV P-domain (PvNVPd) using quantum theory atoms in molecules (QTAIM) natural-bond orbital (NBO) analyses framework density-functional (DFT) approach. QTAIM analysis characterized presence...