[HTML][HTML] Assessing the potential contribution of in silico studies in discovering drug candidates that interact with various SARS-CoV-2 receptors

AGA Mushebenge, SC Ugbaja, NA Mbatha… - International Journal of …, 2023 - mdpi.com
The COVID-19 pandemic has spurred intense research efforts to identify effective treatments
for SARS-CoV-2. In silico studies have emerged as a powerful tool in the drug discovery …

[HTML][HTML] Focus on marine animal safety and marine bioresources in response to the SARS-CoV-2 crisis

Y Yang, J Li, F Han - International Journal of Molecular Sciences, 2022 - mdpi.com
SARS-CoV-2 as a zoonotic virus has significantly affected daily life and social behavior
since its outbreak in late 2019. The concerns over its transmission through different media …

[HTML][HTML] Natural compound targeting BDNF V66M variant: insights from in silico docking and molecular analysis

A Sakhawat, MU Khan, R Rehman, S Khan, MA Shan… - Amb Express, 2023 - Springer
Abstract Brain-Derived Neurotrophic Factor (BDNF) is a neurotrophin gene family gene that
encodes proteins vital for the growth, maintenance, and survival of neurons in the nervous …

Inhibiting the deubiquitinase UCHL1 reduces SARS-CoV-2 viral uptake by ACE2

JS Bednash, F Johns, D Farkas, A Elhance… - American journal of …, 2023 - atsjournals.org
Coronavirus disease (COVID-19), caused by severe acute respiratory syndrome coronavirus
2 (SARS-CoV-2), remains a significant public health burden with limited treatment options …

[HTML][HTML] Anti-SARS-CoV-2 activity of cyanopeptolins produced by Nostoc edaphicum CCNP1411

R Konkel, A Milewska, NDT Do, EB Duran… - Antiviral Research, 2023 - Elsevier
Despite the advances in contemporary medicine and availability of numerous innovative
therapies, effective treatment and prevention of SARS-CoV-2 infections pose a challenge. In …

Synergistic effects of steric constraints and non-covalent interactions in copper (ii) chloro-nitro-benzoato complexes: synthesis, structural characterization, theoretical …

C Chauhan, S Kumar, R Kumar, A Saini… - New Journal of …, 2024 - pubs.rsc.org
Herein, the design and synthesis of three new copper (II) chloro-benzoato complexes
(2C4NB= 2-chloro-4-nitrobenzoate; 2C5NB= 2-chloro-5-nitrobenzoate) with N-/O-donor, ie …

An ensemble docking-based virtual screening and molecular dynamics simulation of phytochemical compounds from Malaysian Kelulut Honey (KH) against SARS …

CMKH Ismail, AA Abdul Hamid… - Journal of …, 2024 - Taylor & Francis
The human angiotensin-converting enzyme 2 (ACE-2) receptor is a metalloenzyme that
plays an important role in regulating blood pressure by modulating angiotensin II. This …

Synthesis, characterization, biological activity and computation-based efficacy of cobalt (II) complexes of biphenyl-2-ol against SARS-CoV-2 virus

S Kumari, M Thakur, C Chauhan… - Journal of Biomolecular …, 2023 - Taylor & Francis
Cobalt (II) complexes of biphenyl-2-ol of composition, CoCl2-n (OC6H4C6H5-2) n (H2O) 4
(where n= 1 or 2), were prepared by reacting cobaltous (II) chloride with equi-and bimolar …

Diterpenoid and C20 diterpenoid alkaloid as a potent inhibitor of SARS-CoV-2 main protease (Mpro): from Piper barberi Gamble, an endemic and endangered …

VA Surendran, JM Ibrahim, RC Thodi… - Journal of …, 2023 - Taylor & Francis
The present study investigated the phytochemicals and in silico anti-nCoV properties of
Piper barberi, an endangered and endemic species of Southern Western Ghats. Using …

In Silico ADME/Tox Profiling of Mushroom Secondary Metabolites

B Shakoor, N Yaqoob, N Shafiq, YA Bin Jardan… - …, 2024 - Wiley Online Library
Traditional medicinal plant examination has increased in recent years since plants enable
them to supplement current pharmaceutical treatments. In silico screening and …