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Large scale screening of commonly used Iranian traditional medicinal plants against urease activity
TLDR
The most potent urease inhibitory activity was observed for Sambucus ebulus and Rheum ribes extracts with IC50 values of 57 and 92 μg/ml, respectively.
Association of Saliva Fluoride Level and Socioeconomic Factors with Dental Caries in 3-6 Years Old Children in Tehran-Iran
TLDR
The obtained results indicated that the caries prevalence among 3-6 year-old children in Tehran – the capital of the Islamic republic of Iran – is as low compared with those, living in developed countries.
A new insight into mushroom tyrosinase inhibitors: docking, pharmacophore-based virtual screening, and molecular modeling studies
TLDR
Five novel leads are introduced to be further optimized or directly used as potent inhibitors of mushroom tyrosinase using virtual screening and binding modes prediction according to the obtained results.
Urease Inhibitory Activities of some Commonly Consumed Herbal Medicines
TLDR
Plant extracts including Ginkgo biloba, Rhus coriaria, and Matricaria inodora were found to be the most effective ones with IC50 values of 36.17, 80.29, and 100.6 μg/mL, respectively.
Screening of 20 Commonly Used Iranian Traditional Medicinal Plants Against Urease
TLDR
Eight of the whole 20 studied plants crude extracts were found the most effective with IC50 values of less than 100 μg/mL including Laurus nobilis, Zingiber officinale, Nigella sativa, Angelica archangelica, Acorus calamus and Citrus aurantium extracts.
In silico Repositioning for Dual Inhibitor Discovery of SARS-CoV-2 (COVID-19) 3C-like Protease and Papain-like Peptidase
TLDR
Seven antiviral agents including two FDA approved and five investigational compounds are proposed as potential dual inhibitors of the enzymes necessary for RNA replication in which Remdesivir as well as Inagrivir have the highest binding affinity for both of the active sites.
Potent Human Telomerase Inhibitors: Molecular Dynamic Simulations, Multiple Pharmacophore-Based Virtual Screening, and Biochemical Assays
TLDR
These exploratory studies identified several new potent inhibitors whose IC50 values were generated experimentally in a low micromolar range with the aid of biochemical assays, including both the direct telomerase and the telomeric repeat amplification protocol (TRAP) assays.
A Theoretical Study on Interactions Between Mitoxantrone as an Anticancer Drug and DNA: Application in Drug Design
TLDR
Molecular modelling on the complex formed between MTX and DNA presented that this complex was indeed fully capable of participating in the formation of a stable intercalation site and the dispersion energy and the electrostatic interaction contributed to the stability of the intercalator·DNA base pair complexes.
An investigation on the interaction modes of a single-strand DNA aptamer and RBP4 protein: a molecular dynamic simulations approach.
TLDR
It is concluded that single strand located bases are the key components that conduct the intercalation phenomenon with big targets rather than those involving loops and folded motifs, to encompass targets and probably inhibit their activity.
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