Artificial intelligence in drug toxicity prediction: recent advances, challenges, and future perspectives

TTV Tran, A Surya Wibowo, H Tayara… - Journal of chemical …, 2023 - ACS Publications
Toxicity prediction is a critical step in the drug discovery process that helps identify and
prioritize compounds with the greatest potential for safe and effective use in humans, while …

[HTML][HTML] The artificial intelligence-driven pharmaceutical industry: a paradigm shift in drug discovery, formulation development, manufacturing, quality control, and post …

K Huanbutta, K Burapapadh, P Kraisit… - European Journal of …, 2024 - Elsevier
The advent of artificial intelligence (AI) has catalyzed a profound transformation in the
pharmaceutical industry, ushering in a paradigm shift across various domains, including …

Apoptosis-inducing anti-proliferative and quantitative phytochemical profiling with in silico study of antioxidant-rich Leea aequata L. leaves

MG Mostofa, ASMA Reza, Z Khan, MS Munira… - Heliyon, 2024 - cell.com
Natural products have been important parts of traditional medicine since ancient times, with
various promising health effects. Leea aequata (L. aequata), a natural product, has been …

Organoboronic acids/esters as effective drug and prodrug candidates in cancer treatments: challenge and hope

MK Al-Omari, M Elaarag, RM Al-Zoubi… - Journal of Enzyme …, 2023 - Taylor & Francis
Boronic acids/esters have recently emerged in the field of medicinal and pharmaceutical
research due to their exceptional oxophilicity, low toxicity, and unique structure. They are …

HMG – CoA reductase inhibition mediated hypocholesterolemic potential of myricetin and quercetin: in-silico and in-vivo studies

P Riyad, A Purohit, K Sen, A Panwar… - CyTA-Journal of Food, 2023 - Taylor & Francis
The study was aimed to examine the HMG-CoA reductase (HMGCR) inhibition potential.
The in-silico investigations followed the assessments of molecular docking, druggability and …

Potential coronaviral inhibitors of the nucleocapsid protein identified in silico and in vitro from a large natural product library

A Pohler, S Abdelfatah, M Riedl, C Meesters… - Pharmaceuticals, 2022 - mdpi.com
The nucleocapsid protein (NP) is one of the main proteins out of four structural proteins of
coronaviruses including the severe acute respiratory syndrome coronavirus 2, SARS-CoV-2 …

[HTML][HTML] Chemical probe as specific detector of porcine protein or peptide in meat and meat-based products: Potential applications, challenges, and the way forward

MN Hamsar, AQ Sazili, SFM Tohid - Journal of Agriculture and Food …, 2024 - Elsevier
This review discusses the potential use of chemical probes for detecting porcine
protein/peptide in meat and meat-based products. Porcine protein/peptide detection is …

Identification of novel inhibitors from Rubus ellipticus as anti-leishmanial agents targeting DDX3-DEAD box RNA helicase of Leishmania donovani

V Gouri, G Roy, A Kanojia, S Singh, R Muthuswami… - 3 Biotech, 2025 - Springer
Visceral leishmaniasis (VL), caused by Leishmania donovani, remains challenging to treat
due to severe side effects and increasing drug resistance associated with current …

Natural Phytocompounds from Common Indian Spices for Identification of Three Potential Inhibitors of Breast Cancer: A Molecular Modelling Approach

S Hazra, AS Ray, CH Rahaman - Molecules, 2022 - mdpi.com
Breast cancer is the second most common cancer-related cause of death for women
throughout the globe. In spite of some effective measures, the main concerns with traditional …

Harnessing marine natural products to inhibit PAD4 triple mutant: A structure-based virtual screening approach for rheumatoid arthritis therapy

S Panchalingam, M Jayaraman, J Jeyaraman… - Archives of Biochemistry …, 2024 - Elsevier
Abstract Peptidylarginine deiminase type4 (PAD4) is a pivotal pro-inflammatory protein
within the human immune system, intricately involved in both inflammatory processes and …