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Identification of a novel binding mechanism of Quinoline based molecules with lactate dehydrogenase of Plasmodium falciparum
The deadliest disease caused by the Plasmodium species is malaria. Among other species,
the infection caused by Plasmodium falciparum (Pf) is life-threatening. The biological …
the infection caused by Plasmodium falciparum (Pf) is life-threatening. The biological …
The molecular docking and molecular dynamics study of flavonol synthase and flavonoid 3'-monooxygenase enzymes involved for the enrichment of kaempferol
Kaempferol is a natural flavonol that shows many pharmacological properties including anti-
inflammatory, antioxidant, anticancer, antidiabetic activities etc. It has been reported in many …
inflammatory, antioxidant, anticancer, antidiabetic activities etc. It has been reported in many …
Probing the intermolecular interactions of PPARγ-LBD with polyunsaturated fatty acids and their anti-inflammatory metabolites to infer most potential binding moieties
Background PPARγ is an isoform of peroxisome proliferator-activated receptor (PPAR)
belonging to a super family of nuclear receptors. PPARγ receptor is found to play a crucial …
belonging to a super family of nuclear receptors. PPARγ receptor is found to play a crucial …
Toward novel inhibitors against KdsB: a highly specific and selective broad-spectrum bacterial enzyme
KdsB (3-deoxy-manno-octulosonate cytidylyltransferase) is a highly specific and selective
bacterial enzyme that catalyzes KDO (3-Deoxy-D-mano-oct-2-ulosonic acid) activation in …
bacterial enzyme that catalyzes KDO (3-Deoxy-D-mano-oct-2-ulosonic acid) activation in …
Screening of potential drug for Alzheimer's disease: A computational study with GSK-3 β inhibition through virtual screening, docking, and molecular dynamics …
ND Elangovan, AK Dhanabalan… - Journal of …, 2021 - Taylor & Francis
The global impact of Alzheimer's disease (AD) necessitates intensive research to find
appropriate and effective drugs. Many studies in AD suggested beta-amyloid plaques and …
appropriate and effective drugs. Many studies in AD suggested beta-amyloid plaques and …
In silico assessment of new progesterone receptor inhibitors using molecular dynamics: a new insight into breast cancer treatment
Nowadays, breast cancer is one of the most widespread malignancies in women, and the
second leading cause of cancer death among women. The progesterone receptor (PR) is …
second leading cause of cancer death among women. The progesterone receptor (PR) is …
Structure and dynamics of the isozymes II and IX of human carbonic anhydrase
Human carbonic anhydrases (HCAs) are responsible for the pH control and sensing in our
body and constitute key components in the central pH paradigm connected to cancer …
body and constitute key components in the central pH paradigm connected to cancer …
Structural insights into modeling of hepatitis B virus reverse transcriptase and identification of its inhibitors from potential medicinal plants of Western Ghats: an in silic …
The present study was proposed to model full-length HBV-RT and investigate the
intermolecular interactions of known inhibitor and libraries of phytocompounds to probe the …
intermolecular interactions of known inhibitor and libraries of phytocompounds to probe the …
[HTML][HTML] Exploring the Pharmacological Potential of Carrageenan Disaccharides as Antitumor Agents: An In Silico Approach
OLT Silva, MGCF Alves, HAO Rocha - Marine Drugs, 2024 - mdpi.com
Carrageenans have demonstrated enhanced antitumor activity upon depolymerization into
disaccharides. However, the pharmacological viability of these disaccharides and their …
disaccharides. However, the pharmacological viability of these disaccharides and their …
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 …