Computer-aided drug design and drug discovery: a prospective analysis
In the dynamic landscape of drug discovery, Computer-Aided Drug Design (CADD) emerges
as a transformative force, bridging the realms of biology and technology. This paper …
as a transformative force, bridging the realms of biology and technology. This paper …
[HTML][HTML] A comprehensive perspective of traditional Arabic or Islamic medicinal plants as an adjuvant therapy against COVID-19
COVID-19 is a pulmonary disease caused by SARS-CoV-2. More than 200 million
individuals are infected by this globally. Pyrexia, coughing, shortness of breath, headaches …
individuals are infected by this globally. Pyrexia, coughing, shortness of breath, headaches …
Computational design of phosphatidylinositol 3-kinase inhibitors
One of the most sought-after therapeutic targets for treating human cancers is the
phosphoinositide 3-kinase; PI3k is an integral part of the PI3K/protein kinase B signaling …
phosphoinositide 3-kinase; PI3k is an integral part of the PI3K/protein kinase B signaling …
Immunoinformatics design of B and T-cell epitope-based SARS-CoV-2 peptide vaccination
SARS-COV-2 is a virulent respiratory virus, first identified in China (Wuhan) at the end of
2019. Scientists and researchers are trying to find any possible solution to this deadly viral …
2019. Scientists and researchers are trying to find any possible solution to this deadly viral …
Gmx_qk: An automated protein/protein–ligand complex simulation workflow bridged to MM/PBSA, based on GROMACS and Zenity-Dependent GUI for beginners in …
Open-source MD simulation tools provide academics and low-income countries with the
ability to compete in drug discovery advancements. Gromacs is a well-known and …
ability to compete in drug discovery advancements. Gromacs is a well-known and …
In-Silico Design, Synthesis, and Pharmacological Evaluation of Oxadiazole-Based Selective Cyclo-oxygenase-2 Inhibitors
A series of oxadiazole-based five-membered heterocyclic derivatives was designed and
synthesized with the intent of exclusive cyclo-oxygenase-2 (COX-2) inhibition to acquire anti …
synthesized with the intent of exclusive cyclo-oxygenase-2 (COX-2) inhibition to acquire anti …
[HTML][HTML] Identification of potential antiviral lead inhibitors against SARS-CoV-2 Main protease: structure-guided virtual screening, docking, ADME, and MD simulation …
G Lanka, R Bathula, B Ghosh, SR Potlapally - Artificial Intelligence …, 2023 - Elsevier
The novel coronavirus disease (COVID-19) was caused by a new strain of the virus SARS-
CoV-2 in December 2019 emerged as deadly pandemic that affected millions of people …
CoV-2 in December 2019 emerged as deadly pandemic that affected millions of people …
Virtual screening of natural compounds as potential SARS-CoV-2 main protease inhibitors: a molecular docking and molecular dynamics simulation guided approach
DK Lokwani, SR Chavan, AP Sarkate… - Chemistry …, 2023 - mdpi.com
The 2019 coronavirus (COVID-19) pandemic caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) has significantly impacted human lives, overburdened the …
coronavirus 2 (SARS-CoV-2) has significantly impacted human lives, overburdened the …
IN SILICO STUDIES OF SOME NEWLY DESIGNED BENZIMIDAZOLETHIAZOLIDINONE BASED ANTAGONISTS OF HUMAN ESTROGEN RECEPTOR.
Breast cancer is globally associated with majority of the women. Indeed, high estrogen
levels are the most common subtype of breast cancer. Three different classes of estrogen …
levels are the most common subtype of breast cancer. Three different classes of estrogen …
The potential of anti-coronavirus plant secondary metabolites in COVID-19 drug discovery as an alternative to repurposed drugs: a review
Z Alipour, S Zarezadeh, AA Ghotbi-Ravandi - Planta Medica, 2023 - thieme-connect.com
In early 2020, a global pandemic was announced due to the emergence of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), known to cause COVID-19. Despite …
respiratory syndrome coronavirus 2 (SARS-CoV-2), known to cause COVID-19. Despite …