Computer especially AI-assisted drug virtual screening and design in traditional Chinese medicine
Y Lin, Y Zhang, D Wang, B Yang, YQ Shen - Phytomedicine, 2022 - Elsevier
Abstract Background Traditional Chinese medicine (TCM), as a significant part of the global
pharmaceutical science, the abundant molecular compounds it contains is a valuable …
pharmaceutical science, the abundant molecular compounds it contains is a valuable …
Molecular dynamics simulation and pharmacokinetics studies of ombuin and quercetin against human pancreatic α-amylase
Diabetes mellitus (DM) is a group of metabolic disorders characterised by chronic
hyperglycaemia. DM is currently one of the top ten causes of death in humans. Chronic …
hyperglycaemia. DM is currently one of the top ten causes of death in humans. Chronic …
Therapeutic potential of Chromolaena odorata phyto-constituents against human pancreatic α-amylase
Abstract Type II Diabetes Mellitus (DM) is caused by insulin resistance in peripheral tissue
and impaired insulin secretion through a dysfunction of the pancreatic β-cell. Acarbose is an …
and impaired insulin secretion through a dysfunction of the pancreatic β-cell. Acarbose is an …
[HTML][HTML] In silico screening of phytochemicals from Dissotis rotundifolia against Plasmodium falciparum Dihydrofolate Reductase
Background Malaria remains a major health concern in develo** countries with high
morbidity and mortality, especially in pregnant women and infants. A major obstacle to the …
morbidity and mortality, especially in pregnant women and infants. A major obstacle to the …
Phytochemicals from Nigerian medicinal plants modulate therapeutically-relevant diabetes targets: insight from computational direction
Traditional medicines have played critical roles in the treatment of diabetes in Nigeria. Since
plants extracts contain many phytochemical compounds, it is quite challenging to …
plants extracts contain many phytochemical compounds, it is quite challenging to …
Fragment-based drug design, 2D-QSAR and DFT calculation: Scaffolds of 1, 2, 4, triazolo [1, 5-a] pyrimidin-7-amines as potential inhibitors of Plasmodium falciparum …
Background: Plasmodium falciparum dihydroorotate dehydrogenase (PfDODH) is one of the
enzymes currently explored in the treatment of malaria. Although there is currently no …
enzymes currently explored in the treatment of malaria. Although there is currently no …
[HTML][HTML] Phyllanthus amarus Schumach. & Thonn. and Momordica charantia L extracts improve memory function, attenuate cholinergic and purinergic dysfunction, and …
Background Phyllanthus amarus (PA) and Momordica charantia (MC) are common herbs
known for their various pharmacological importance. However, limited studies have been …
known for their various pharmacological importance. However, limited studies have been …
[HTML][HTML] Therapeutic capability of five active compounds in typical African medicinal plants against main proteases of SARS-CoV-2 by computational approach
Abstract Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a pandemic
cause of Corona Virus Disease (COVID-19), that has claimed numerous human lives across …
cause of Corona Virus Disease (COVID-19), that has claimed numerous human lives across …
[HTML][HTML] Deciphering the interactions of compounds from Allium sativum targeted towards identification of novel PTP 1B inhibitors in diabetes treatment: a …
Diabetes has increased radically in recent decades globally. Diabetes mainly emerged as a
major health care problem in the world, among which type-2 diabetes is the most common …
major health care problem in the world, among which type-2 diabetes is the most common …
Newly designed compounds from scaffolds of known actives as inhibitors of survivin: computational analysis from the perspective of fragment-based drug design
Survivin is an apoptosis suppressing protein linked to different forms of cancer. As it stands,
there are no approved drugs for the inhibition of survivin in cancer cells despite a number of …
there are no approved drugs for the inhibition of survivin in cancer cells despite a number of …