Unveiling potent inhibitors for schistosomiasis through ligand-based drug design, molecular docking, molecular dynamics simulations and pharmacokinetics …
Schistosomiasis is a neglected tropical disease which imposes a considerable and enduring
impact on affected regions, leading to persistent morbidity, hindering child development …
impact on affected regions, leading to persistent morbidity, hindering child development …
Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations …
SC Ja'afaru, A Uzairu, S Hossain… - PLoS Neglected …, 2024 - journals.plos.org
Schistosomiasis, also known as bilharzia or snail fever, is a tropical parasitic disease
resulting from flatworms of the Schistosoma genus. This often overlooked disease has …
resulting from flatworms of the Schistosoma genus. This often overlooked disease has …
[HTML][HTML] Computational interrogation of natural compounds identified resveratrol-3-OD-glucopyranoside as a potential inhibitor of essential monkeypox virus proteins
Background Monkeypox has become a significant public health problem due to recent
epidemics and the associated morbidity. Treatment is limited by the availability of drugs …
epidemics and the associated morbidity. Treatment is limited by the availability of drugs …
Predictive identification and design of potent inhibitors targeting resistance-inducing candidate genes from E. coli whole-genome sequences
Introduction: This work utilizes predictive modeling in drug discovery to unravel potential
candidate genes from Escherichia coli that are implicated in antimicrobial resistance; we …
candidate genes from Escherichia coli that are implicated in antimicrobial resistance; we …
Computer-aided drug discovery of c-Abl kinase inhibitors from plant compounds against chronic myeloid leukemia
Chronic myeloid leukemia (CML) is a hematological malignancy characterized by the
neoplastic transformation of hematopoietic stem cells, driven by the Philadelphia (Ph) …
neoplastic transformation of hematopoietic stem cells, driven by the Philadelphia (Ph) …
Virtual screening and molecular dynamics studies of novel small molecules targeting Schistosoma mansoni DHODH: identification of potential inhibitors
Schistosomiasis affects more than 200 million individuals globally, mainly in underprivileged
areas, leading to long-term health issues and adding to socio-economic challenges. The …
areas, leading to long-term health issues and adding to socio-economic challenges. The …
In silico study of some plant compounds as potential anticancer agents targeting MALT1 allosteric domain
MM Alshehri, MK Alshammari… - Journal of …, 2024 - Taylor & Francis
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1) is the only
human paracaspase, that serves as an adaptor protein and controls substantial genes …
human paracaspase, that serves as an adaptor protein and controls substantial genes …
Computational modeling and molecular dynamics studies of methyl sulfonyl acetate derivatives as potent SmTGR inhibitors: insights into binding interactions
Schistosomiasis, a neglected tropical disease caused by flatworms of the Schistosoma
genus, can lead to severe health complications such as Hepatosplenomegaly, intestinal …
genus, can lead to severe health complications such as Hepatosplenomegaly, intestinal …
In silico Assessment of Phytochemicals from Selected Plants as Prospective TGF‐β1 Inhibitors for Prostate Cancer Therapy
FO Ishabiyi, RY Omotosho‐Sanni, S Baammi… - …, 2024 - Wiley Online Library
Transforming growth factor β1 (TGF‐β) is a cytokine with pleiotropic biological functions.
Recently, its signaling pathway has been highlighted for its implicative paradoxical roles in …
Recently, its signaling pathway has been highlighted for its implicative paradoxical roles in …
Identification of novel phytotherapeutic agents for understanding hypertrophic cardiomyopathy via genetic mapping and advanced computational analysis
Hypertrophic cardiomyopathy (HCM) is a monogenic cardiovascular disorder that has been
poorly studied at the molecular, genetic, and computational levels. Here, we examined the …
poorly studied at the molecular, genetic, and computational levels. Here, we examined the …