A comprehensive review on recent approaches for cancer drug discovery associated with artificial intelligence

S Pandiyan, L Wang - Computers in Biology and Medicine, 2022 - Elsevier
Through the revolutionization of artificial intelligence (AI) technologies in clinical research,
significant improvement is observed in diagnosis of cancer. Utilization of these AI …

Artificial intelligence for small molecule anticancer drug discovery

L Duo, Y Liu, J Ren, B Tang, JD Hirst - Expert Opinion on Drug …, 2024 - Taylor & Francis
Introduction The transition from conventional cytotoxic chemotherapy to targeted cancer
therapy with small-molecule anticancer drugs has enhanced treatment outcomes. This …

[HTML][HTML] Chemical reactivity, solvent effects, spectroscopic (FTIR, Raman, SERS, UV–Visible), Hirshfeld analyses and antimalarial investigation of 3-Acetylbenzoic acid

G Vijayakumari, N Iyandurai, M Raja, V Vetrivelan… - Chemical Physics …, 2023 - Elsevier
The antimalarial compound 3-AcetylBenzoic acid (3ABA) was characterized by
spectroscopic and UV–Visible spectral techniques. The most stable structure of 3ABA …

Experimental (FT-IR, UV-Vis) spectroscopic analysis and molecular docking investigations of anti-cancer drugs Alkeran and Bicalutamide

PV Ramana, YR Krishna, KC Mouli - Journal of Molecular Structure, 2022 - Elsevier
Abstract According to the World Health Organization reports, cancer is the leading cause of
death around the globe. Infectious diseases, parasitic infections, and cardiovascular …

FT-IR, UV–Vis, density functional theory and molecular docking studies on 3, 7, 11, 15-Tetramethyl-2hexadecen-1-ol

S Kayashrini, P Rajesh, E Dhanalakshmi… - Journal of Molecular …, 2025 - Elsevier
Abstract The organic molecule of 3, 7, 11, 15-Tetramethyl-2-hexadecen-1-ol is frequently
present in plant chlorophyll pigment. The title compound possesses antimicrobial …

Vibrational spectroscopic studies, DFT, and molecular docking investigations of 4-fluoro-3-methyl benzophenone

KV Prasad, PV Ramana - Vibrational Spectroscopy, 2023 - Elsevier
Potential energy distribution was used to describe the optimum molecular geometry, FT-IR,
FT-Raman, and UV-Vis spectra, vibrational frequency bands, and assignment of suitable …

Production of pazopanib hydrochloride nanoparticles (anti-kidney cancer drug) using a supercritical gas antisolvent (GAS) method

M Bazaei, B Honarvar, N Esfandiari, SA Sajadian… - RSC …, 2024 - pubs.rsc.org
Supercritical fluid-based methods have been receiving increasing popularity in the
production of pharmaceutical nanoparticles due to their ability to control the size and …

Peptides-modified cellulose microspheres for adsorption of ochratoxin A: Performance and mechanism

J Chen, Q Wang, X Lei, H Liu, J Liu, X He - Separation and Purification …, 2024 - Elsevier
In this study, peptides with ochratoxin A (OTA) recognition and adsorption capability were
designed, among which lysine, histidine, arginine and tyrosine were crucial. Peptide …

Experimental spectroscopic and molecular docking investigations of the anticancer drugs aprepitant and capecitabine

PV Ramana - Theoretical Chemistry Accounts, 2023 - Springer
Cancer is one of the disorders that causes the most fatalities in modern times and is
responsible for a significant number of deaths each year. The accurate administration of this …

Bidentate bromhexine drug coordination modes with various transition metal ions: Synthesis, characterization, and in vitro antibacterial and anti-breast cancer activity …

FN Sayed, NR Omar, NF Mahmoud… - Journal of Trace Elements …, 2024 - Elsevier
Background Bromhexine (BHX) is a mucolytic drug used in treatment the respiratory
disorders which are associated with excessive or viscid mucus. Transition metal complexes …