Molecular dynamics simulation approach for discovering potential inhibitors against SARS-CoV-2: A structural review

S Ghahremanian, MM Rashidi, K Raeisi… - Journal of molecular …, 2022 - Elsevier
Since the commencement of the novel Coronavirus, the disease has quickly turned into a
worldwide crisis so that there has been growing attention in discovering possible hit …

[HTML][HTML] The therapeutic effects of Agrimonia eupatoria L

Z Paluch, L Biriczova, G Pallag, EC Marques… - Physiological …, 2020 - ncbi.nlm.nih.gov
Agrimonia eupatoria L. is an herb of the Rosaceae family, widely used in traditional (folk)
medicine for its beneficial effects. Its water extracts (infusions and decoctions) are used in …

Antiproliferative potential of gloriosine: A lead for anticancer drug development

B Goel, B Dey, E Chatterjee, N Tripathi, N Bhardwaj… - ACS …, 2022 - ACS Publications
Gloriosine, a colchicine-like natural product, is widely obtained from Gloriosa superba roots.
Despite having remarkable anticancer potential, colchicine could not pave its way to the …

Computational identification of potential inhibitors targeting cdk1 in colorectal cancer

UC Ogbodo, OA Enejoh, CH Okonkwo… - Frontiers in …, 2023 - frontiersin.org
Introduction: Despite improved treatment options, colorectal cancer (CRC) remains a huge
public health concern with a significant impact on affected individuals. Cell cycle …

Natural and nature-derived products targeting human coronaviruses

K Vougogiannopoulou, A Corona, E Tramontano… - Molecules, 2021 - mdpi.com
The ongoing pandemic of severe acute respiratory syndrome (SARS), caused by the SARS-
CoV-2 human coronavirus (HCoV), has brought the international scientific community before …

Binding and inhibitory effect of ravidasvir on 3CLpro of SARS-CoV‐2: a molecular docking, molecular dynamics and MM/PBSA approach

K Bera - Journal of Biomolecular Structure and Dynamics, 2022 - Taylor & Francis
Drug repurposing requires a limited resource, cost-effective and faster method to combat
severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Therefore, this in silico …

CB1 as a novel target for Ginkgo biloba's terpene trilactone for controlling chemotherapy-induced peripheral neuropathy (CIPN)

F Samandar, ZA Tehranizadeh, MR Saberi… - Journal of molecular …, 2022 - Springer
The application of antineoplastic chemotherapeutic agents causes a common side effect
known as chemotherapy-induced peripheral neuropathy (CIPN) that leads to reducing the …

Discovery of pyrimidoindol and benzylpyrrolyl inhibitors targeting SARS-CoV-2 main protease (Mpro) through pharmacophore modelling, covalent docking, and …

RE Mahgoub, FE Mohamed, BR Ali, J Ferreira… - Journal of Molecular …, 2024 - Elsevier
The main protease (M pro) enzyme has an imperative function in disease progression and
the life cycle of the SARS-CoV-2 virus. Although the orally active drug nirmatrelvir (co …

Mangiferin from Enicostemma littorale Blume with in silico and in vitro anti-inflammatory potential

N Kumar, N Tripathi, S Kumar… - Journal of …, 2023 - Taylor & Francis
The bioassay-guided fractionation of the extract of aerial parts of Enicostemma littorale
resulted in two fractions 3 and 4 with moderate and potent antioxidant activity, respectively …

1, 2, 3, 4, 6-Pentagalloyl glucose of Pistacia lentiscus can inhibit the replication and transcription processes and viral pathogenesis of SARS-COV-2

F Samandar, ZA Tehranizadeh, MR Saberi… - Molecular and Cellular …, 2022 - Elsevier
SARS-COV-2 stands as the source of the most catastrophic pandemic of this century, known
as COVID-19. In this regard, we explored the effects of five Pistacia sp. active ingredients on …