Virtual screening of natural inhibitors targeting ornithine decarboxylase with pharmacophore scaffolding of DFMO and validation by molecular dynamics simulation …
M Sivashanmugam, S KN, UV - Journal of Biomolecular Structure …, 2019 - Taylor & Francis
Ornithine decarboxylase (ODC) is an enzyme that initiates polyamine synthesis in human.
Polyamines play key roles in cell–cell adhesion, cell motility and cell cycle regulation …
Polyamines play key roles in cell–cell adhesion, cell motility and cell cycle regulation …
Drug repositioning to discover novel ornithine decarboxylase inhibitors against visceral leishmaniasis
Visceral leishmaniasis (VL) is caused by Leishmania donovani (Ld), and most cases occur
in Brazil, East Africa, and India. The treatment for VL is limited and has many adverse effects …
in Brazil, East Africa, and India. The treatment for VL is limited and has many adverse effects …
Pharmacore maping based on docking, ADME/toxicity, virtual screening on 3, 5-dimethyl-1, 3, 4-hexanetriol and dodecanoic acid derivates for anticancer inhibitors
P Prakash, D Vijayasarathi, K Selvam… - Journal of …, 2021 - Taylor & Francis
Plants produced natural generating products play a significant role in drug discovery of new
bioactive compounds and these are used for advancement of innovative curative drugs for …
bioactive compounds and these are used for advancement of innovative curative drugs for …
Docking and molecular dynamics studies of peptide inhibitors of ornithine decarboxylase: a rate-limiting enzyme for the metabolism of Fusarium solani
Sanchita, R Chauhan, G Soni… - Journal of …, 2013 - Taylor & Francis
Fusarium solani causes a wide variety of diseases in plants. Polyamine biosynthesis is
responsible for the growth and pathogenicity of the fungus. The initial step of this pathway …
responsible for the growth and pathogenicity of the fungus. The initial step of this pathway …
Multi-dimensional structural footprint identification for the design of potential scaffolds targeting METTL3 in cancer treatment from natural compounds
Abstract Context N 6-adenosine-methyltransferase (METTL3) is the catalytic domain of the
'writer'proteins which is involved in the post modifications of N 6-methyladinosine (m 6 A) …
'writer'proteins which is involved in the post modifications of N 6-methyladinosine (m 6 A) …
[HTML][HTML] Anticancer potential of phytochemicals from Oroxylum indicum targeting Lactate Dehydrogenase A through bioinformatic approach
SS Ahmed, MO Rahman, AS Alqahtani, N Sultana… - Toxicology Reports, 2023 - Elsevier
In recent years, small molecule inhibition of LDHA (Lactate Dehydrogenase A) has evolved
as an appealing option for anticancer therapy. LDHA catalyzes the interconversion of …
as an appealing option for anticancer therapy. LDHA catalyzes the interconversion of …
Identification of new small molecule monoamine oxidase-B inhibitors through pharmacophore-based virtual screening, molecular docking and molecular dynamics …
S Kumar, SR Ayyannan - Journal of Biomolecular Structure and …, 2023 - Taylor & Francis
The discovery of a safe and efficacious drug is a complex, time-consuming, and expensive
process. Computational methodologies driven by cheminformatics tools play a central role in …
process. Computational methodologies driven by cheminformatics tools play a central role in …
[HTML][HTML] Discovery of potential natural dihydroorotate dehydrogenase inhibitors and their synergism with brequinar via integrated molecular docking, dynamic …
The critical function of dihydroorotate dehydrogenase (DHODH) in pyrimidine synthesis
attracted a great interest throughout beyond decades. Inhibitors of human DHODH …
attracted a great interest throughout beyond decades. Inhibitors of human DHODH …
E-pharmacophore and molecular dynamics study of flavonols and dihydroflavonols as inhibitors against dihydroorotate dehydrogenase
P Swaminathan, S Kalva… - … Chemistry & High …, 2014 - ingentaconnect.com
DiHydroOrotate DeHydrogenase [huDHODH] is a therapeutic target for Rheumatoid arthritis
[RA]. Leflunomide [A771726] is a widely used synthetic inhibitor against huDHODH. We to …
[RA]. Leflunomide [A771726] is a widely used synthetic inhibitor against huDHODH. We to …
In silico study to identify new monoamine oxidase type a (MAO-A) selective inhibitors from natural source by virtual screening and molecular dynamics simulation
Neurological (such as stroke, Alzheimer's, Parkinson's, epilepsy) and neuropsychiatric (such
as autism, migraine, depression, anxiety, stress) disorders continue to be on rising every …
as autism, migraine, depression, anxiety, stress) disorders continue to be on rising every …
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