Search Results - "Nayeem, Shahid M."
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Z-Guggulsterone Is a Potential Lead Molecule of Dawa-ul-Kurkum against Hepatocellular Carcinoma
Published in Molecules (Basel, Switzerland) (11-08-2022)“…An ancient saffron-based polyherbal formulation, Dawa-ul-Kurkum (DuK), has been used to treat liver ailments and other diseases and was recently evaluated for…”
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Effect of TMAO and Urea on Dimers and Tetramers of Amyloidogenic Heptapeptides (23FGAILSS29)
Published in ACS omega (27-10-2020)“…Human islet amyloid polypeptide (hIAPP) (1–37) is an intrinsically disordered protein that is released with insulin by β-cells found in the pancreas. Under…”
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Effect of Urea, Arginine, and Ethanol Concentration on Aggregation of 179CVNITV184 Fragment of Sheep Prion Protein
Published in ACS omega (30-09-2018)“…Understanding protein aggregation is of utmost importance as it is responsible for causing several neurodegenerative diseases and one of the serious…”
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Effect of Osmolytes on Conformational Behavior of Intrinsically Disordered Protein α-Synuclein
Published in Biophysical journal (19-11-2019)“…α-Synuclein is an intrinsically disordered protein whose function in a healthy brain is poorly understood. It is genetically and neuropathologically linked to…”
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Stability of the Aβ42 Peptide in Mixed Solutions of Denaturants and Proline
Published in The journal of physical chemistry. B (23-02-2023)“…Amyloid β-peptide (Aβ) is responsible for the neuronal damage and death of a patient with Alzheimer’s disease (AD). Aβ42 oligomeric forms are dominant…”
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Biophysical insight into the binding mechanism of doxofylline to bovine serum albumin: An in vitro and in silico approach
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15-03-2021)“…[Display omitted] •UV-visible and steady-state fluorescence demonstrated the static kind of quenching mechanism.•Doxofylline binding at the subdomain IB (site…”
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Conformational dynamics of superoxide dismutase (SOD1) in osmolytes: a molecular dynamics simulation study
Published in RSC advances (30-07-2020)“…Amyotrophic lateral sclerosis (ALS) is a progressive neurodegenerative disease caused by the misfolding of Cu, Zn superoxide dismutase (SOD1). Several earlier…”
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Identification of small molecule inhibitors of ALK2: a virtual screening, density functional theory, and molecular dynamics simulations study
Published in Journal of molecular modeling (01-09-2018)“…Bone morphogenetic proteins (BMPs) are a family of more than 30 ligands and several receptors, such as activin like kinases (ALKs) and bone morphogenetic…”
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Studying the interaction of scopolamine with calf-thymus DNA: An in-vitro and in-silico approach and genotoxicity
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15-01-2022)“…[Display omitted] •Scopolamine interacts with ct-DNA at its grooves.•Electrostatic interaction and van der Waals forces are the stabilizing…”
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Exploring the interaction of tepotinib with calf thymus DNA using molecular dynamics simulation and multispectroscopic techniques
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05-03-2024)“…In recent times, there has been a surge in the discovery of drugs that directly interact with DNA, influencing gene expression. As a result, understanding how…”
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Correlating interfacial water dynamics with protein-protein interaction in complex of GDF-5 and BMPRI receptors
Published in Biophysical chemistry (01-09-2018)“…GDF-5 mediated signal transduction regulating chondrogenesis and skeletogenesis involves three different type-I receptors viz. Act-RI, BMPRIA and BMPRIB…”
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In silico studies of the human IAPP in the presence of osmolytes
Published in Journal of molecular modeling (14-06-2022)“…The human islet amyloid polypeptide or amylin is secreted along with insulin by pancreatic islets. Under the drastic environmental conditions, amylin can…”
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Biophysical and biochemical studies on glycoxidatively modified human low density lipoprotein
Published in Archives of biochemistry and biophysics (01-05-2018)“…Methylglyoxal (MGO), a reactive dicarbonyl metabolite is a potent arginine directed glycating agent which has implications for diabetes-related complications…”
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Stimulation of GMP formation in hGBP1 is mediated by W79 and its effect on the antiviral activity
Published in The FEBS journal (01-05-2021)“…The underlying mechanism of assembly‐stimulated GMP formation by large GTPase hGBP1 is not fully clarified. Here, we suggest that after first phosphate…”
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Computational and physicochemical insight into 4-hydroxy-2-nonenal induced structural and functional perturbations in human low-density lipoprotein
Published in Journal of biomolecular structure & dynamics (23-03-2024)“…Lipid peroxidation (LPO) is a biological process that frequently occurs under physiological conditions. Undue oxidative stress increases the level of LPO;…”
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Synthesis and Pharmacological Evaluation of Novel Triazole-Pyrimidine Hybrids as Potential Neuroprotective and Anti-neuroinflammatory Agents
Published in Pharmaceutical research (01-01-2023)“…Objective Neuroprotection is a precise target for the treatment of neurodegenerative diseases, ischemic stroke, and traumatic brain injury. Pyrimidine and its…”
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The inhibitory effect of Sunset Yellow on thermally induced Human Serum Albumin aggregates: Possible role in naturopathy
Published in International journal of biological macromolecules (28-02-2022)“…•Effect of SY over HSA in an in vitro manner was investigated.•HSA (15 μM) was incubated for 6 days at 65°C. 30-180 μM SY was used in the study.•SY showed…”
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Multicomponent Petasis reaction for the identification of pyrazine based multi-target directed anti-Alzheimer's agents: In-silico design, synthesis, and characterization
Published in European journal of medicinal chemistry (05-06-2023)“…Multi-target directed ligands (MTDLs) have recently attracted significant interest due to their exceptional effectiveness against multi-factorial Alzheimer's…”
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Biophysical characterization of structural and conformational changes in methylmethane sulfonate modified DNA leading to the frizzled backbone structure and strand breaks in DNA
Published in Journal of biomolecular structure & dynamics (02-11-2022)“…Methyl methanesulfonate (MMS) is a highly toxic DNA-alkylating agent that has a potential to damage the structural integrity of DNA. This work employed…”
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Residues of Alpha Helix H3 Determine Distinctive Features of Transforming Growth Factor β3
Published in The journal of physical chemistry. B (08-06-2017)“…Transforming growth factors (TGF-βs) are proteins that regulate cell growth by binding to their receptors. In contrast to transforming growth factor (TGF) β1,…”
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