Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review

VT Sabe, T Ntombela, LA Jhamba… - European Journal of …, 2021 - Elsevier
Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …

Digital health: trends, opportunities and challenges in medical devices, pharma and bio-technology

N Kasoju, NS Remya, R Sasi, S Sujesh, B Soman… - CSI Transactions on …, 2023 - Springer
Digital health interventions refer to the use of digital technology and connected devices to
improve health outcomes and healthcare delivery. This includes telemedicine, electronic …

Polysaccharide-based hydrogels: Properties, advantages, challenges, and optimization methods for applications in regenerative medicine

P Safarzadeh Kozani… - … Journal of Polymeric …, 2022 - Taylor & Francis
In the past few years, research has focused on design and development of natural polymers-
based hydrogels owing to their inherent features as well as numerous application ranges. In …

Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently

DB Kell, S Samanta, N Swainston - Biochemical Journal, 2020 - portlandpress.com
The number of 'small'molecules that may be of interest to chemical biologists—chemical
space—is enormous, but the fraction that have ever been made is tiny. Most strategies are …

[HTML][HTML] Artificial intelligence in antidiabetic drug discovery: The advances in QSAR and the prediction of α-glucosidase inhibitors

AI Odugbemi, C Nyirenda, A Christoffels… - Computational and …, 2024 - Elsevier
Artificial Intelligence is transforming drug discovery, particularly in the hit identification phase
of therapeutic compounds. One tool that has been instrumental in this transformation is …

The antiviral activity of currently used medicinal plants in aquaculture and structure–activity relationship of their active ingredients

Y Hu, X Zhang, L Shan, L Liu, J Chen - Reviews in Aquaculture, 2024 - Wiley Online Library
Aquaculture is an important source of high‐quality protein and plays a crucial role in
ensuring global food security. However, viral diseases have caused significant damage to …

Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based …

R Singh, P Kumar, J Sindhu, M Devi, A Kumar… - Computers in Biology …, 2023 - Elsevier
Abstract α-Amylase (EC. 3.2. 1.1) is a ubiquitous digestive endoamylase. The abrupt rise in
blood glucose levels due to the hydrolysis of carbohydrates by α-amylase at a faster rate is …

Design and development of novel nutraceuticals: Current trends and methodologies

T Tsiaka, E Kritsi, K Tsiantas, P Christodoulou… - Nutraceuticals, 2022 - mdpi.com
Over the past few years, nutraceuticals have gained substantial attention due to the health-
promoting and disease-preventing functions behind their nutritional value. The global …

Molecular modeling approaches to investigate essential oils (volatile compounds) interacting with molecular targets

SN Mali, S Tambe, AP Pratap, JN Cruz - … and Trends in Food Science and …, 2022 - Springer
Abstract “Molecular modeling” can also be alternatively expressed as “CADD”(Computer-
aided drug design) or “CAMD”(computer assisted molecular design), etc.(Yu and Mackerell …

Computational methods in cooperation with experimental approaches to design protein tyrosine phosphatase 1B inhibitors in type 2 diabetes drug design: A review of …

MI Campos-Almazán, A Hernández-Campos… - Pharmaceuticals, 2022 - mdpi.com
Protein tyrosine phosphatase 1B (PTP1B) dephosphorylates phosphotyrosine residues and
is an important regulator of several signaling pathways, such as insulin, leptin, and the ErbB …