Alizarin interaction with sickle hemoglobin: elucidation of their anti-sickling properties by multi-spectroscopic and molecular modeling techniques

Syed, Muntjeeb M.; Doshi, Pooja; Kulkarni, Mukund G.; Dhavale, Dilip D.; Kadam, Nitin S.; Kate, Sudam L.; Doshi, Jignesh; Sharma, Nitin; Uppuladinne, Mallikarjunachari; Sonavane, Uddhavesh; Joshi, Rajendra; Doshi, Saurav; Bhattacharya, Nandika

doi:10.1080/07391102.2018.1557557

Cited by 6 publications

(2 citation statements)

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“…Many small molecules 18,139,[242][243][244][245][246][247][248][249] including some amino acids 140,139,250,138,251 , were long found to decrease the deoxy-HbS aggregation in vitro by increasing the solubility of HbS. While these molecules, many reported in the 1970s and 1980s, failed their purpose as effective drugs for the treatment of SCD it is of interest to contrast some of these molecules with those proposed more recently to address SCD and other proteinopathies such as PD.…”

Section: Small Molecule Drugsmentioning

confidence: 99%

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Protein Aggregation-Inhibition: A Therapeutic Route from Parkinson's Disease to Sickle Cell Anemia

Martins

Galamba

2023

Preprint

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Protein aggregation is implicated in multiple diseases, so-called proteinopathies, ranging from neurodegenerative disorders such as Alzheimer's disease and Parkinson's disease (PD) to type 2 diabetes mellitus and sickle cell disease (SCD). The structure of the protein aggregates and the kinetics and mechanisms of aggregation have been the object of intense research over the years toward the development of therapeutic routes, including the design of aggregation inhibitors. Nonetheless, the design of drugs targeting aggregation inhibition remains a challenging endeavor because of multiple, disease-specific factors. Herein, we provide a perspective of this therapeutic route with emphasis on small molecules and peptide-based drugs in two diverse diseases, PD and SCD, aiming at establishing links among proposed aggregation inhibitors. The small and large length-scale regimes of the hydrophobic effect are discussed in light of the importance of hydrophobic interactions in proteinopathies. Some simulation results are reported on model peptides, illustrating the impact of hydrophobic and hydrophilic groups in water's hydrogen-bond network with an impact on drug binding. The seeming importance of aromatic rings and hydroxyl groups in protein-aggregation-inhibitor-drugs is emphasized along with the challenges associated with some inhibitors, limiting their development into effective therapeutic options, and questioning the potential of this therapeutic route.

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Section: Small Molecule Drugsmentioning

confidence: 99%

“…More recently an experimental and simulation/docking study investigated alizarin 246 , a hydroxyl anthraquinone (see Fig. 8) found in the plant Rubia cordifolia (aka Indina Madder).…”

Section: Small Molecule Drugsmentioning

confidence: 99%