Results 41 to 50 of about 169,844 (308)

In Silico Design of a Chimeric Humanized L-asparaginase

International Journal of Molecular Sciences, 2023
Acute lymphoblastic leukemia (ALL) is the most common cancer among children worldwide, characterized by an overproduction of undifferentiated lymphoblasts in the bone marrow. The treatment of choice for this disease is the enzyme L-asparaginase (ASNase) from bacterial sources.
Alejandro Pedroso, Lisandra Herrera Belén, Jorge F. Beltrán, Rodrigo L. Castillo, Adalberto Pessoa, Enrique Pedroso, Jorge G. Farías   +6 more
openaire   +2 more sources

Characterization of natural therapeutic compounds producing novel bacterial strains isolated from Hyderabad, India

Scientific Reports
Natural products (NPs) are secondary metabolites that exert their biological effects within and on other organisms. Bacteria are considered potent producers of bioactive natural compounds, due to their versatile biocatalytic activity.
Anushka Bhrdwaj, Anuraj Nayarisseri, Sanjeev Kumar Singh   +2 more
doaj   +1 more source

In silico approach for identification of potential tetracyclic triterpenoids from mushroom as HMG-CoA reductase inhibitor

Aspects of Molecular Medicine
Cardiovascular disease is estimated to be responsible for one-third of all global deaths annually. It occurs mostly due to hyperlipidemia, a condition where excessive cholesterol deposits in blood vessels.
Rishav Mazumder, Deijy Choudhury, Alekhya Sarkar, Ashmita Ghosh, Sudhan Debnath, Bimal Debnath, Rajat Ghosh   +6 more
doaj   +1 more source

In silico design and pharmacokinetics investigation of some novel hepatitis C virus NS5B inhibitors: pharmacoinformatics approach

Bulletin of the National Research Centre, 2022
Background Hepatitis C virus (HCV) is a contagious disease that damages the liver over time, eventually leading to cirrhosis and death. Chronic HCV infection is regarded as a serious health problem worldwide, impacting up to 3% of the populace and ...
Stephen Ejeh, Adamu Uzairu, Gideon A. Shallangwa, Stephen E. Abechi, Muhammad Tukur Ibrahim   +4 more
doaj   +1 more source

Transferrin receptor 1‐mediated iron uptake supports thermogenic activation in human cervical‐derived adipocytes

FEBS Letters, EarlyView.
In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai, Mizuki Seo, Gyath Karadsheh, Fachrur Rizal Mahendra, Máté Á Demény, Ferenc Győry, János András Mótyán, László Fésüs, Endre Kristóf, Rini Arianti   +9 more
wiley   +1 more source

Keratin 19 as a prognostic marker and contributing factor of metastasis and chemoresistance in high‐grade serous ovarian cancer

Molecular Oncology, EarlyView.
Keratin 19 (KRT19) is overexpressed in high‐grade serous ovarian cancer with high levels of Kallikrein‐related peptidases (KLK) 4–7 and is associated with poor survival. In vivo analyses demonstrate that elevated KRT19 increases peritoneal tumour burden.
Sophia Bielesch, Isabel Vogel, Sina Nokodian, Johanna Moeller, Antonia Blechschmidt, Vicky Hecht, Vanessa Kuentzel, Katharina Thiedig, Melissa Schwab, Oliver Schilling, Holger Bronger, Marion Kiechle, Viktor Magdolen, Tobias Dreyer   +13 more
wiley   +1 more source

Interpreting the effects of DNA polymerase variants at the structural level

Molecular Oncology, EarlyView.
Using MAVISp and molecular dynamics simulations, we analyzed over 60 000 missense variants in POLE and POLD1 from ClinVar, COSMIC, cBioPortal, and saturation mutagenesis. Identified mechanistic indicators, including stability, binding, and long‐range, enable structural interpretation, providing ACMG‐like evidence for possible reclassification of VUS ...
Matteo Arnaudi, Karolina Krzesińska, Ludovica Beltrame, Pablo Sánchez‐Izquierdo Besora, Matteo Tiberti, Mef Nilbert, Anna Rohlin, Elena Papaleo   +7 more
wiley   +1 more source

Drug discovery and computational strategies in the multitarget drugs era

Brazilian Journal of Pharmaceutical Sciences, 2018
The pharmaceutical industry is increasingly joining chemoinformatics in the search for the development of new drugs to be used in the treatment of diseases.
Jéssika de Oliveira Viana, Mayara Barbalho Félix, Mayara dos Santos Maia, Vanessa de Lima Serafim, Luciana Scotti, Marcus Tullius Scotti   +5 more
doaj   +1 more source

Indole: A promising scaffold for the discovery and development of potential anti-tubercular agents

Current Research in Pharmacology and Drug Discovery, 2022
Indole-containing small molecules have been reported to have diverse pharmacological activities. The aromatic heterocyclic scaffold, which resembles various protein structures, has received attention from organic and medicinal chemists.
Nilesh Gajanan Bajad, Sudhir Kumar Singh, Sushil Kumar Singh, Tryambak Deo Singh, Meenakshi Singh   +4 more
doaj   +1 more source

In Silico Design of a Peptidomimetic Carrier for Levodopa

International Journal of Biomedical Science, 2011
Ab initio molecular orbital calculations at the Hartree Fock level utilizing 6-31G basis set have been performed on small cyclic peptides and peptidomimetic compounds to explore their utility as carriers of levodopa (L-3,4-dihydroxyphenylalanine) to enhance its brain bioavailability.
A, Banerjee, A, Yadav
openaire   +2 more sources