Alkyloxy carbonyl modified hexapeptides as a high affinity compounds for Wnt5A protein in the treatment of psoriasis

Kelotra, Ankit; Gokhale, Sadashiv M.; Kelotra, Seema; Mukadam, Vaidehi; Nagwanshi, Komal; Bandaru, Srinivas; Nayarisseri, Anuraj; Bidwai, Anil

doi:10.6026/97320630010743

Cited by 25 publications

(7 citation statements)

References 21 publications

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“…LLC, New York, NY) (Babitha et al, 2015;Bandaru et al, 2017a;Basak et al, 2016a, Dunna et al, 2015a. Eventually, in this procedure of preparation, the protein was added with disulfide bonds, missing side chains were filled, water molecules were removed beyond 5 Å from hetero groups, and was saved in the SDF format for further docking studies (Dunna et al, 2015b;Divya et al, 2019;Bandaru et al, 2015a;Kelotra et al, 2014a;Basak et al, 2016b).…”

Section: Protein and Ligand Preparationmentioning

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

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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

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Section: Protein and Ligand Preparationmentioning

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

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“…Thus, it appears that upregulation of non-canonical Wnt signaling that leads to downregulation of canonical Wnt signaling may be occurring in rheumatoid arthritis to induce high levels of synovial inflammation. Wnt signaling has been known to play a role in cell renewal and keratinocyte differentiation, and the Wnt/Ca 2+ non-canonical pathway has been correlated with the pathophysiology of psoriasis (62). The overexpression of Wnt5A and Fzd5 in psoriasis may denote the targeting of non-canonical Wnt pathway elements as an efficacious tactic in the remediation of psoriatic symptoms.…”

Section: Wnt/β-catenin Signaling In Dcs: a Potential Therapeutic Targmentioning

confidence: 99%

“…In addition to direct inhibition or activation of the canonical Wnt pathway, suppression of non-canonical Notch signaling, which can antagonize canonical Wnt signaling, may be beneficial in regressing symptoms of autoimmune disease. Non-canonical Wnt ligands Wnt5a and Wnt7b were upregulated in the joints of rheumatoid arthritis patients, and the non-canonical Wnt/Ca 2+ pathway has been associated with the pathophysiology of psoriasis (58, 62). Pharmacological inhibition of Wnt5A, for example, may remediate inflammation and other symptoms in arthritis or psoriasis patients.…”

Section: Regulation Of Wnt/β-catenin Signaling In Dcs: Novel Targets mentioning

confidence: 99%

Modulation of Inflammatory Responses by Wnt/β-Catenin Signaling in Dendritic Cells: A Novel Immunotherapy Target for Autoimmunity and Cancer

et al. 2016

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The Wnt/β-catenin pathway is an evolutionarily conserved signaling pathway critical for several biological processes. An aberrant Wnt/β-catenin signaling is linked to several human diseases. Emerging studies have highlighted the regulatory role of the Wnt/β-catenin signaling pathway in normal physiological processes of parenchymal and hematopoietic cells. Recent studies have shown that the activation of Wnt/β-catenin pathway in dendritic cells (DCs) play a critical role in mucosal tolerance and suppression of chronic autoimmune pathologies. Alternatively, tumors activate Wnt/β-catenin pathway in DCs to induce immune tolerance and thereby evade antitumor immunity through suppression of effector T cell responses and promotion of regulatory T cell responses. Here, we review our work and current understanding of how Wnt/β-catenin signaling in DCs shapes the immune response in cancer and autoimmunity and discuss how Wnt/β-catenin pathway can be targeted for successful therapeutic interventions in various human diseases.

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“…LLC, New York, NY) where, these were optimized through OPLS 2005 force field algorithm [22-26]. This preparation resulted in all the ligand structures in a single file, which was saved with a .sdf extension for docking with the target protein [27-29].…”

Section: Methodsmentioning

confidence: 99%

Design of novel JAK3 Inhibitors towards Rheumatoid Arthritis using molecular docking analysis

Jain¹,

Udhwani²,

Sharma³

et al. 2019

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Multiple cytokines play a pivotal role in the pathogenesis of Rheumatoid Arthritis by inducing intracellular signaling and it is known that the members of the Janus kinase (JAK) family are essential for such signal transduction. Janus kinase 3 is a tyrosine kinase that belongs to the Janus family of kinases. Drugs targeting JAK3 in the treatment of Rheumatoid arthritis is relevant. Therefore, it is of interest to design suitable inhibitors for JAK3 dimer using molecular docking with Molegro Virtual Docker. The compound possessing the highest affinity score is subjected to virtual screening to retrieve inhibitors. The compound SCHEMBL19100243 (PubChem CID-76749591) displays a high affinity with the target protein. The affinity scores of this compound are more than known drugs. ADMET analysis and BOILED Egg plot provide insights into this compound as a potent inhibitor of JAK3.

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Alkyloxy carbonyl modified hexapeptides as a high affinity compounds for Wnt5A protein in the treatment of psoriasis

Cited by 25 publications

References 21 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

Modulation of Inflammatory Responses by Wnt/β-Catenin Signaling in Dendritic Cells: A Novel Immunotherapy Target for Autoimmunity and Cancer

Design of novel JAK3 Inhibitors towards Rheumatoid Arthritis using molecular docking analysis

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