[HTML][HTML] An understanding of coronavirus and exploring the molecular dynamics simulations to find promising candidates against the Mpro of nCoV to combat the …
The first infection case of new coronavirus was reported at the end of 2019 and after then,
the cases are reported in all nations across the world in a very short period. Further, the …
the cases are reported in all nations across the world in a very short period. Further, the …
Discovery of new nicotinamides as apoptotic VEGFR-2 inhibitors: Virtual screening, synthesis, anti-proliferative, immunomodulatory, ADMET, toxicity, and molecular …
RG Yousef, A Ibrahim, MM Khalifa… - Journal of enzyme …, 2022 - Taylor & Francis
A library of modified VEGFR-2 inhibitors was designed as VEGFR-2 inhibitors. Virtual
screening was conducted for the hypothetical library using in silico docking, ADMET, and …
screening was conducted for the hypothetical library using in silico docking, ADMET, and …
Capability of MXene 2D material as an amoxicillin, ampicillin, and cloxacillin adsorbent in wastewater
A Miri-Jahromi, M Didandeh… - Journal of Molecular …, 2022 - Elsevier
Amoxicillin, ampicillin, and cloxacillin are three semi-synthetic antibiotic compounds that
pollute wastewaters. Antibiotic compounds demonstrate resistance against conventional …
pollute wastewaters. Antibiotic compounds demonstrate resistance against conventional …
Critical sequence hotspots for binding of novel coronavirus to angiotensin converter enzyme as evaluated by molecular simulations
The novel coronavirus (nCOV-2019) outbreak has put the world on edge, causing millions of
cases and hundreds of thousands of deaths all around the world, as of June 2020, let alone …
cases and hundreds of thousands of deaths all around the world, as of June 2020, let alone …
Interactions of Co, Cu, and non-metal phthalocyanines with external structures of SARS-CoV-2 using docking and molecular dynamics
WLM Alencar, T da Silva Arouche, AFG Neto… - Scientific Reports, 2022 - nature.com
The new coronavirus, SARS-CoV-2, caused the COVID-19 pandemic, characterized by its
high rate of contamination, propagation capacity, and lethality rate. In this work, we …
high rate of contamination, propagation capacity, and lethality rate. In this work, we …
Structure‐Based virtual screening, docking, ADMET, molecular dynamics, and MM‐PBSA calculations for the discovery of potential natural SARS‐CoV‐2 helicase …
AM Metwaly, A Elwan, AAMM El-Attar… - Journal of …, 2022 - Wiley Online Library
Continuing our antecedent work against COVID‐19, a set of 5956 compounds of traditional
Chinese medicine have been virtually screened for their potential against SARS‐CoV‐2 …
Chinese medicine have been virtually screened for their potential against SARS‐CoV‐2 …
Identification of 1H-purine-2, 6-dione derivative as a potential SARS-CoV-2 main protease inhibitor: molecular docking, dynamic simulations, and energy calculations
The rapid spread of the coronavirus since its first appearance in 2019 has taken the world by
surprise, challenging the global economy, and putting pressure on healthcare systems …
surprise, challenging the global economy, and putting pressure on healthcare systems …
Organophosphorus insecticide interacts with the pheromone-binding proteins of Athetis lepigone: Implication for olfactory dysfunction
YN Zhang, JW Xu, XC Zhang, XQ Zhang, LL Li… - Journal of hazardous …, 2020 - Elsevier
Athetis lepigone is one of the most severe polyphagous pests, and it has developed
resistance to different chemical insecticides. Insects primarily rely on the olfactory system to …
resistance to different chemical insecticides. Insects primarily rely on the olfactory system to …
Integration of Chemoinformatics and Multi-Omics Analysis Defines ECT2 as a Potential Target for Cancer Drug Therapy
Simple Summary Cancer is a leading cause of death worldwide and continuous efforts are
exerted to develop novel biomarkers and therapeutic agents that could help in early …
exerted to develop novel biomarkers and therapeutic agents that could help in early …
Identification of Hypericin as a candidate repurposed therapeutic agent for COVID-19 and its potential anti-SARS-CoV-2 activity
AR Matos, BC Caetano, JL de Almeida Filho… - Frontiers in …, 2022 - frontiersin.org
The COVID-19 pandemic has had an unprecedented impact on the global economy and
public health. Its etiologic agent, the severe acute respiratory syndrome coronavirus 2 …
public health. Its etiologic agent, the severe acute respiratory syndrome coronavirus 2 …