Advancement in Microbial Cheminformatics

Nayarisseri, Anuraj; Hood, Elizabeth

doi:10.2174/1568026619666181120121528

Cited by 30 publications

(12 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…(Padmini et al, 2019;Sinha et al, 2019;Palak et al, 2019;Patidar et al, 2016). On the basis of the lowest re-ranking score, the best interacting compound was selected for the further studies (Nayarisseri et al, 2018;Bandaru, 2015b;Praseetha et al, 2016;Mendonça-Junior et al, 2019).…”

Section: Virtual Screening Resultsmentioning

confidence: 99%

Identification of High-Affinity Small Molecule Targeting IDH2 for the Clinical Treatment of Acute Myeloid Leukemia

Sweta¹,

Khandelwal²,

Srinitha³

et al. 2019

Asian Pac J Cancer Prev

View full text Add to dashboard Cite

According to the American Cancer Society (ACS), Acute Myeloid Leukemia (AML) is a group of hematological diseases, phenotypic and genetically heterogeneous, characterized by clonal expansion of myeloid with diminished capacity for differentiation. It is characterized by the fast growth of white blood cells, red blood cells, platelets, and it's a build-up in the bone marrow restricting the production of traditional blood cells. Once healthy bone marrow cells are replaced with the leukemic cells, it results in a decline in red blood cells, platelets, and healthy white blood cells. Mainly, symptoms that are seen in patients affected by AML are Weight loss, Fatigue, Fever, Night sweat, Loss of appetite, shortness of breath, natural bruising and bleeding, with lots of body

show abstract

Section: Virtual Screening Resultsmentioning

confidence: 99%

Identification of High-Affinity Small Molecule Targeting IDH2 for the Clinical Treatment of Acute Myeloid Leukemia

Sweta¹,

Khandelwal²,

Srinitha³

et al. 2019

Asian Pac J Cancer Prev

View full text Add to dashboard Cite

show abstract

“…Being the most aggressive tumor in a human, Glioblastoma drew the noteworthy attention of scientists and researchers all over the world. According to the research in spite of having various treatments for glioblastoma including chemotherapy, radiation therapy, surgery, a diagnosed patient does not have long-term survival rate and also have numerous side effects (Nayarisseri et al, 2018;Sharda et al, 2019). In the present study, we proposed a newly screened inhibitor which directly can block the active site of VEGFR and have found to be less toxicity and cytotoxicity on ADMET analysis.…”

Section: Discussionmentioning

confidence: 87%

“…The molecular docking study was performed by using Molegro Virtual Docker (MVD) which is unified with high potential Piece Wise Linear Potential (PLP) and MVD scoring function (Bandaru et al, 2017a;Basak et al, 2016b;Gutlapalli et al, 2015;Kelotra et al, 2014;Natchimuthu et al, 2016;Nayarisseri et al, 2018;Sharda et al, 2019;Padmini et al, 2019). The pre-prepared 16 ligands were saved in one single SDF file.…”

Section: Molecular Dockingmentioning

confidence: 99%

See 1 more Smart Citation

Identification of Potent VEGF Inhibitors for the Clinical Treatment of Glioblastoma, A Virtual Screening Approach

Yadav¹,

Khandelwal²,

Mudgal³

et al. 2019

Asian Pac J Cancer Prev

Self Cite

View full text Add to dashboard Cite

Vascular endothelial growth factor (VEGF) expression could be found in all glioblastomas. VEGF takes part in numerous changes including the endothelial cell proliferation, the vasculature of solid tumor: its survival invasion, and migration, chemotaxis of bone marrow-derived progenitor cells, vasodilation and vascular permeability. VEGF inhibition can be a smart therapeutic strategy because it is extremely specific and less toxic than cytotoxic therapy. To establish better inhibition of VEGF than the current inhibitors, present study approach is by molecular docking, virtual screening to illustrate the inhibitor with superior affinity against VEGF to have a cautious pharma profile. To retrieve the best established and high-affinity high affinity molecule, Molegro Virtual Docker software was executed. The high-affinity scoring compounds were subjected to further similarity search to retrieve the drugs with similar properties from pubchem database. The completion of virtual screening reveals that PubChem compound SCHEMBL1250485 (PubChem CID: 66965667) has the highest affinity. The study of the drug-likeness was verified using OSIRIS Property Explorer software which supported the virtual screened result. Further ADMET study and drug comparative study strongly prove the superiority of the new established inhibitor with lesser rerank score and toxicity. Overall, the new inhibitor has higher potential to stop the expression of VEGF in glioblastoma and positively can be further analysed through In vitro studies.

show abstract

“…This helps to develop more efficient drug candidates which would essentially help in the curing of the syndrome. The aim of the present investigation is to identify a potential GRB2 inhibitor towards the clinical treatment of Polycystic ovary syndrome (PCOS) using various molecular docking [8][9][10][11][12][13][14][15] and virtual screening approaches [16][17][18][19][20][21][22][23][24][25][26][27][28] .…”

Section: Introductionmentioning

confidence: 99%

An In silico approach for the identification of GRB2 inhibitors for the treatment of Polycystic ovary syndrome (PCOS)

Agarwal¹,

Nayarisseri²

2020

Proceedings of MOL2NET 2020, International Conference on Multidisciplinary Sciences, 6th Edition

View full text Add to dashboard Cite

Advancement in Microbial Cheminformatics

Cited by 30 publications

References 0 publications

Identification of High-Affinity Small Molecule Targeting IDH2 for the Clinical Treatment of Acute Myeloid Leukemia

Identification of High-Affinity Small Molecule Targeting IDH2 for the Clinical Treatment of Acute Myeloid Leukemia

Identification of Potent VEGF Inhibitors for the Clinical Treatment of Glioblastoma, A Virtual Screening Approach

An In silico approach for the identification of GRB2 inhibitors for the treatment of <em>Polycystic ovary syndrome</em> <em>(</em><em>PCOS</em><em>)</em>

Contact Info

Product

Resources

About