Targeting SARS-CoV-2 papain-like protease in the postvaccine era
While vaccines remain at the forefront of global healthcare responses, pioneering
therapeutics against SARS-CoV-2 are expected to fill the gaps for waning immunity. Rapid …
therapeutics against SARS-CoV-2 are expected to fill the gaps for waning immunity. Rapid …
A review on molecular docking as an interpretative tool for molecular targets in disease management
D Sahu, LS Rathor, SD Dwivedi, K Shah… - Assay and drug …, 2024 - liebertpub.com
One of the most often utilized methods for drug discovery is molecular docking. With
docking, one may discover new therapeutically relevant molecules by targeting the molecule …
docking, one may discover new therapeutically relevant molecules by targeting the molecule …
[HTML][HTML] A Computational Approach to Elucidate the Interactions of Chemicals From Artemisia annua Targeted Toward SARS-CoV-2 Main Protease Inhibition for …
The inhibitory potential of Artemisia annua, a well-known antimalarial herb, against several
viruses, including the coronavirus, is increasingly gaining recognition. The plant extract has …
viruses, including the coronavirus, is increasingly gaining recognition. The plant extract has …
[HTML][HTML] Inhibition mechanism of alpha-amylase, a diabetes target, by a steroidal pregnane and pregnane glycosides derived from Gongronema latifolium Benth
OM Ogunyemi, GA Gyebi, A Saheed, J Paul… - Frontiers in molecular …, 2022 - frontiersin.org
Alpha-amylase is widely exploited as a drug target for preventing postprandial
hyperglycemia in diabetes and other metabolic diseases. Inhibition of this enzyme by plant …
hyperglycemia in diabetes and other metabolic diseases. Inhibition of this enzyme by plant …
Molecular modelling and structure-activity relationship of a natural derivative of o-hydroxybenzoate as a potent inhibitor of dual NSP3 and NSP12 of SARS-CoV-2: In …
The nsp3 macrodomain and nsp12 (RdRp) enzymes are strongly implicated in the virulent
regulation of the host immune response and viral replication of SARS-CoV-2, making them …
regulation of the host immune response and viral replication of SARS-CoV-2, making them …
Inhibitory potential of phytochemicals from Chromolaena odorata L. against apoptosis signal-regulatory kinase 1: A computational model against colorectal cancer
Abstract Apoptosis signal kinase 1 (ASK 1) is a member of the mitogen-activated protein
kinase (MAPK) family that induces cells apoptosis including colorectal cancer (CRC). CRC …
kinase (MAPK) family that induces cells apoptosis including colorectal cancer (CRC). CRC …
Design of SARS-CoV-2 Mpro, PLpro dual-target inhibitors based on deep reinforcement learning and virtual screening
L Zhang, H Zhao, J Liu, L He, R Yu… - Future Medicinal …, 2022 - Taylor & Francis
Background: Since December 2019, SARS-CoV-2 has continued to spread rapidly around
the world. The effective drugs may provide a long-term strategy to combat this virus. The …
the world. The effective drugs may provide a long-term strategy to combat this virus. The …
[HTML][HTML] Computational study of the therapeutic potentials of a new series of imidazole derivatives against SARS-CoV-2
Owing to the urgent need for therapeutic interventions against the SARS-coronavirus 2
(SARS-CoV-2) pandemic, we employed an in silico approach to evaluate the SARS-CoV-2 …
(SARS-CoV-2) pandemic, we employed an in silico approach to evaluate the SARS-CoV-2 …
In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET …
Fluconazole and Voriconazole are individual antifungal inhibitors broadly adopted for
treating fungal infections, including Candida Albicans. Unfortunately, these medicines …
treating fungal infections, including Candida Albicans. Unfortunately, these medicines …
Computational investigation of phytochemicals from Abrus precatorius seeds as modulators of peroxisome proliferator-activated receptor gamma (PPARγ)
Type 2 diabetes mellitus remains global health challenge with involvement of both insulin
resistance and dysfunctional insulin secretion from the pancreatic β-cell. Currently …
resistance and dysfunctional insulin secretion from the pancreatic β-cell. Currently …