Molecular docking as a tool for the discovery of molecular targets of nutraceuticals in diseases management

PC Agu, CA Afiukwa, OU Orji, EM Ezeh, IH Ofoke… - Scientific reports, 2023 - nature.com
Molecular docking is a computational technique that predicts the binding affinity of ligands to
receptor proteins. Although it has potential uses in nutraceutical research, it has developed …

Molecular docking in formulation and development

T Kaur, A Madgulkar, M Bhalekar… - Current Drug …, 2019 - ingentaconnect.com
Background: In pharmaceutical research drug discovery and development process is
timeconsuming and expensive. In many cases, it produces incompetent results due to the …

In silico docking analysis revealed the potential of phytochemicals present in Phyllanthus amarus and Andrographis paniculata, used in Ayurveda medicine in …

S Hiremath, HDV Kumar, M Nandan, M Mantesh… - 3 Biotech, 2021 - Springer
The Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has resulted in
outbreak of global pandemic, fatal pneumonia in human referred as Coronavirus Disease …

GC-MS Analysis, Antibacterial, and Anticancer Activities of Hibiscus sabdariffa L. Methanolic Extract: In Vitro and In Silico Studies

AE Sehim, BH Amin, M Yosri, HM Salama… - Microorganisms, 2023 - mdpi.com
The emergence of bacteria that are resistant to several antibiotics has represented a serious
hazard to human health globally. Bioactive metabolites from medicinal plants have a wide …

In silico antiviral properties of Spirulina platensis phycobiliprotein and phycobilin as natural inhibitor for SARS-CoV-2

HSH Munawaroh, GG Gumilar, RN Pratiwi, SF Khoiriah… - Algal Research, 2024 - Elsevier
The global pandemic COVID-19 in 2019 has led to a continued search for promising
potential molecules to combat human viral diseases. An in silico strategy was attempted to …

SOEing PCR/Docking Optimization of Protein AG/scFv-Fc-Bioconjugated Au Nanoparticles for Interaction with Meningitidis Bacterial Antigen

M Rad, G Ebrahimipour, M Bandehpour, O Akhavan… - Catalysts, 2023 - mdpi.com
Recent advances in the use of gold nanoparticles (Au NPs)/antibody conjugations in
nanomedicine have increased the need to optimize the synthesis conditions and surface …

Exploring photobiological performance of ternary chemical combinations: Ultrasonic, spectroscopic investigations, photochemical reactivity, topology and antimicrobial …

K Dhanalakshmi, V Loganathan, S Susindhiran… - … of Photochemistry and …, 2024 - Elsevier
Amino acids are the essential, structural units of proteins, peptides and assured types of
hormones and antibiotics partake in all the physiological processes of a living cell. Protein …

[HTML][HTML] Screening of bioactive compounds from endophytic marine-derived fungi in Saudi Arabia: Antimicrobial and anticancer potential

AMH Al-Rajhi, A Mashraqi, MA Al Abboud, ARM Shater… - Life, 2022 - mdpi.com
Nowadays, endophytic fungi represent a rich source of biological active compounds. In the
current study, twelve endophytic fungal species were isolated from Avicennia marina leaves …

[PDF][PDF] A review on molecular docking

KM Dnyandev, GV Babasaheb… - Int. Res. J. Pure Appl …, 2021 - researchgate.net
Molecular docking is computational modeling of structure complexes formed by two or more
interacting molecule. The goal of molecular docking is prediction of three dimensional …

Multiscale modeling and simulation of nano‐carriers delivery through biological barriers—a review

X Shi, F Tian - Advanced Theory and Simulations, 2019 - Wiley Online Library
The past several decades have witnessed the explosion of nanomedicine for cancer
therapy, where notable research efforts have been made in synthesizing and delivering …