[PDF][PDF] 3D-QSAR, molecular docking, molecular dynamics simulations and structural studies of some selected inhibitors of the glycoprotein (GPC) of Lassa virus
ABSTRACT 3D-QSAR, comparative molecular field analysis-smart region description (SRD)
and fractional factorial design (FFD)(CoMFA-FFD), and comparative molecular field analysis …
and fractional factorial design (FFD)(CoMFA-FFD), and comparative molecular field analysis …
[PDF][PDF] A 2-D QSAR modeling, molecular docking study and design of 2-Arylbenzimidazole derivatives as novel leishmanial inhibitors: a molecular dynamics study
Leishmaniasis is a tropical disease that infects approximately 12 million people living
majorly in tropical Africa, Southeast Asia and Latin America [1]. Visceral leishmaniasis (VL) …
majorly in tropical Africa, Southeast Asia and Latin America [1]. Visceral leishmaniasis (VL) …
[HTML][HTML] Investigating the anti-filarial efficacy and molecular interactions of thiadiazol derivative: Insight from quantum chemical calculations, pharmacokinetics, and …
EA Adindu, BO Ekpong, M Runde, AM Atotse… - Chemical Physics …, 2024 - Elsevier
Parasitic infections such as lymphatic filariasis (elephantiasis) solely result from the
infestation of a slender and thread-like worm. This condition precipitates swelling, often …
infestation of a slender and thread-like worm. This condition precipitates swelling, often …
First report on exploration of structural features of natural compounds (NPACT database) for anti-breast cancer activity (MCF-7): QSAR-based virtual screening …
Due to the high toxicity, poor efficacy and resistance associated with current anti-breast
cancer drugs, there's growing interest in natural products (NPs) for their potential anti-cancer …
cancer drugs, there's growing interest in natural products (NPs) for their potential anti-cancer …
3D-QSAR, ADMET, and molecular docking studies of aztreonam analogs as E. colis inhibitors
Background: The development of multidrug resistant strains of extended-spectrum β-
lactamase-producing Escherichia coli has become a global problem; therefore, the …
lactamase-producing Escherichia coli has become a global problem; therefore, the …
Structure-based virtual screening
Drug development is challenging for the pharmaceutical sector, as it is time-consuming and
cost extensive to complete all the phases necessary to transform a chemical into a new drug …
cost extensive to complete all the phases necessary to transform a chemical into a new drug …
Drug-like screening, molecular docking, molecular dynamics simulations, and binding free energies on the interaction of pyrazole derivatives as inhibitors of …
Lysosomal membrane proteins (LAMPs) are a primary target for treating tumors because of
their essential role in the cancer life cycle. In this study, some computational approaches …
their essential role in the cancer life cycle. In this study, some computational approaches …
Molecular phylogeny, Sequence-based drug design, Docking built virtual screening, dynamics simulations, and ADMET properties of thiazolino 2-pyridone amide …
The propagation of emerging diseases and the expensive cost and time lost by using the
classic methods, especially in the current scenario with the world being plagued by SARS …
classic methods, especially in the current scenario with the world being plagued by SARS …
[PDF][PDF] Molecular Docking, Molecular Dynamics Simulation, and MM/GBSA Studies of (N-(4-Carbamoylphenyl)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2, 3 …
EI Edache, A Uzairu, PA Mamza, GA Shallangwa… - 2023 - sid.ir
ABSTRACT Coronavirus disease 2019 (COVID-19) is a pandemic disease caused by the
SARS-coronavirus-2, which has a high rate of infection. Regardless of the advancements …
SARS-coronavirus-2, which has a high rate of infection. Regardless of the advancements …