Search Results - "Silakari, O."

In silico guided design of non-covalent inhibitors of DprE1: synthesis and biological evaluation by Verma, H., Choudhary, S., Kumar, M., Silakari, O.

“…DprE1 is a potential target of resistant tuberculosis (TB), especially multidrug-resistant (MDR) and extensively drug-resistant (XDR) TB. 2-benzoxazolinone is…”
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Molecular dynamics and pharmacophore modelling studies of different subtype (ALK and EGFR (T790M)) inhibitors in NSCLC by Singh, P. K., Silakari, O.

“…Extensively validated 3D pharmacophore models for ALK (anaplastic lymphoma kinase) and EGFR (T790M) (epithelial growth factor receptor with acquired secondary…”
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In silico guided designing of 4-(1H-benzo[d]imidazol-2-yl)phenol-based mutual-prodrugs of NSAIDs: synthesis and biological evaluation by Arora, M., Choudhary, S., Silakari, O.

“…The free COOH group of conventional NSAIDs is a structural feature for non-selective cyclooxygenase (COX) inhibition and the molecular cause of their…”
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Energy decomposition and waterswapping analysis to investigate the SNP associated DPD mediated 5-FU resistance by Verma, H., Doshi, J., Narendra, G., Raju, B., Singh, P.K., Silakari, O.

“…5-fluorouracil is an essential component of systemic chemotherapy for colon, breast, head, and neck cancer patients. However, tumoral overexpression of the…”
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Structure based designing of benzimidazole/benzoxazole derivatives as anti-leishmanial agents by Kapil, S., Singh, P.K., Kashyap, A., Silakari, O.

“…Folates are essential biomolecules required to carry out many crucial processes in leishmania parasite. Dihydrofolate reductase-thymidylate synthase (DHFR-TS)…”
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Identification of new dual spleen tyrosine kinase (Syk) and phosphoionositide-3-kinase δ (PI3Kδ) inhibitors using ligand and structure-based integrated ideal pharmacophore models by Kaur, M., Silakari, O.

“…Owing to the complex pathophysiology of autoimmune disorders, it is very challenging to develop successful treatment strategies. Single-target agents are not…”
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Glutamine: fructose-6-phosphate amidotransferase (GFAT): homology modelling and designing of new inhibitors using pharmacophore and docking based hierarchical virtual screening protocol by Vyas, B., Silakari, O., Singh Bahia, M., Singh, B.

“…Glutamine: fructose-6-phosphate amidotransferase (GFAT), also termed GFPT1 and GFAT1, catalyzes the first committed step of the hexosamine biosynthesis pathway…”
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Pharmacophore and docking-based virtual screening approach for the design of new dual inhibitors of Janus kinase 1 and Janus kinase 2 by Jasuja, H., Chadha, N., Kaur, M., Silakari, O.

“…Janus kinase 1 and 2, non-receptor protein tyrosine kinases, are implicated in various cancerous diseases. Involvement of these two enzymes in the pathways…”
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Imidazo[1,2-a]pyrazine inhibitors of phosphoinositide 3-kinase alpha (PI3Kα): 3D-QSAR analysis utilizing the Hybrid Monte Carlo algorithm to refine receptor-ligand complexes for molecular alignment by Chadha, N., Jasuja, H., Kaur, M., Singh Bahia, M., Silakari, O.

“…Phosphoinositide 3-kinase alpha (PI3Kα) is a lipid kinase involved in several cellular functions such as cell growth, proliferation, differentiation and…”
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A three-dimensional pharmacophore modelling of ITK inhibitors and virtual screening for novel inhibitors by Bagga, V., Silakari, O., Ghorela, V.S., Bahia, M.S., Rambabu, G., Sarma, J.

“…Interleukin-2-inducible T-cell kinase (ITK) is a key member of the Tec family of non-receptor tyrosine kinases, and has been found to be a novel target for a…”
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Benzimidazole scaffold based hybrid molecules for various inflammatory targets: Synthesis and evaluation by Kaur, Gaganpreet, Silakari, Om

“…[Display omitted] •Benzimidazole scaffold based hybrids provided multitargeting potential by influencing various inflammation-related targets such as COX-1,…”
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DNA triple helix formation: A potential tool for genetic repair by Kohli, DV, Nayak, A, Khare, P, Chourasia, MK, Silakari, O

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