Multisampling-based docking reveals Imidazolidinyl urea as a multitargeted inhibitor for lung cancer: an optimisation followed multi-simulation and in-vitro study
Lung Cancer is one of the deadliest cancers, responsible for more than 1.80 million deaths
annually worldwide, and it is on the priority list of WHO. In the current scenario, when cancer …
annually worldwide, and it is on the priority list of WHO. In the current scenario, when cancer …
Computational screening and MM/GBSA-based MD simulation studies reveal the high binding potential of FDA-approved drugs against Cutibacterium acnes …
Cutibacterium acnes is an opportunistic pathogen linked with acne vulgaris, affecting 80–
90% of teenagers globally. On the leukocyte (WBCs) cell surface, the cell wall anchored …
90% of teenagers globally. On the leukocyte (WBCs) cell surface, the cell wall anchored …
[HTML][HTML] Current trends on the application of artificial intelligence in medical sciences
AM Mashraqi, B Allehyani - Bioinformation, 2022 - ncbi.nlm.nih.gov
Artificial Intelligence (AI) is expanding with colossal applications in various sectors. In the
healthcare sector, it is booming to make life simpler with utmost accuracy by predicting …
healthcare sector, it is booming to make life simpler with utmost accuracy by predicting …
Integrating machine learning and multitargeted drug design to combat antimicrobial resistance: a systematic review
Antimicrobial resistance (AMR) is a critical global health challenge, undermining the efficacy
of antimicrobial drugs against microorganisms like bacteria, fungi and viruses. Multidrug …
of antimicrobial drugs against microorganisms like bacteria, fungi and viruses. Multidrug …
Targeting the receptor binding domain and heparan sulfate binding for antiviral drug development against SARS-CoV-2 variants
ZS Yang, TS Li, YS Huang, CC Chang, CM Chien - Scientific Reports, 2024 - nature.com
The emergence of SARS-CoV-2 variants diminished the efficacy of current antiviral drugs
and vaccines. Hence, identifying highly conserved sequences and potentially druggable …
and vaccines. Hence, identifying highly conserved sequences and potentially druggable …
Unveiling the multitargeted repurposing potential of taxifolin (dihydroquercetin) in cervical cancer: An extensive MM\GBSA-based screening, and MD simulation study
Cervical cancer is a significant cause of morbidity and mortality in women worldwide.
Despite the availability of effective therapies, the development of drug resistance and …
Despite the availability of effective therapies, the development of drug resistance and …
[HTML][HTML] Potential of umami molecules against SARS-CoV-2 (Omicron) S-RBD/hACE2 interaction: an in-silico study
Z Cui, S Wang, Y Xu, Y Liu, W Wang - Journal of Future Foods, 2025 - Elsevier
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) enter human cells by
binding its spike protein receptor-binding domain (S-RBD) with human angiotensin …
binding its spike protein receptor-binding domain (S-RBD) with human angiotensin …
Unveiling the multitargeted potency of Sodium Danshensu against cervical cancer: a multitargeted docking-based, structural fingerprinting and molecular dynamics …
Cervical Cancer (CC) is one of the most common types of cancer in women worldwide, with
a significant number of deaths reported yearly. Despite the various treatment options …
a significant number of deaths reported yearly. Despite the various treatment options …
Reporting multitargeted potency of Tiaprofenic acid against lung cancer: Molecular fingerprinting, MD simulation, and MTT-based cell viability assay studies
Lung Cancer (LC) is among the most death-causing cancers, has caused the most
destruction and is a gender-neutral cancer, and WHO has kept this cancer on its priority list …
destruction and is a gender-neutral cancer, and WHO has kept this cancer on its priority list …
Chlordiazepoxide against signalling, receptor and regulatory proteins of breast cancer: a structure-based in-silico approach
Among the most prevalent forms of cancer are breast, lung, colon-rectum, and prostate
cancers, and breast cancer is a major global health challenge, contributing to 2.26 million …
cancers, and breast cancer is a major global health challenge, contributing to 2.26 million …