<?xml version="1.0" encoding="UTF-8"?><Articles><Article><id>166</id><JournalTitle>PHYTOCHEMICAL PROFILING AND MOLECULAR DOCKINGBASED INVESTIGATION OF COCCULUS HIRSUTUS (L.) W. THEOB. AS A POTENTIAL NATURAL THERAPEUTIC FOR DRY EYE DISEASE</JournalTitle><Abstract>Dry eye disease (DED) is a multifactorial ocular surface disorder characterized by tear film instability, ocular
inflammation, and visual discomfort. Increasing interest in herbal medicines has encouraged the exploration of plantderived compounds as potential therapeutic agents with fewer side effects. The present study aimed to investigate the
pharmacognostical, phytochemical, and in silico therapeutic potential of Cocculushirsutus (L.) W. Theob. leaves
against molecular targets associated with dry eye disease. Fresh leaves of Cocculushirsutus were collected,
authenticated, and subjected to pharmacognostical evaluation including macroscopic, microscopic, and powder
microscopy studies. Physicochemical parameters such as ash values, extractive values, loss on drying, and foaming
index were determined to establish quality control standards. The powdered leaves were extracted using Soxhlet
extraction with hydroalcoholic solvent, and preliminary phytochemical screening was performed to identify major
secondary metabolites. GC–MS analysis was conducted to identify bioactive compounds present in the extract. In
silico pharmacological studies including ADME prediction and molecular docking analysis were carried out to
evaluate drug-likeness and binding affinity of the identified phytoconstituents against target proteins associated with
dry eye disease (PDB IDs: 9K25 and 5E6R). Pharmacognostical studies revealed characteristic morphological and
anatomical features of the plant, while physicochemical evaluation confirmed the purity and quality of the crude drug.
Phytochemical screening indicated the presence of alkaloids, flavonoids, phenolic compounds, glycosides, terpenoids,
amino acids, and saponins. GC–MS analysis identified several bioactive constituents including octanoic acid ethyl
ester, 3-methylsalicylic acid, dodecanoic acid ethyl ester, inositol-1-deoxy, tetrahydrofurfuryl propionate, and phenol
2,4-bis (1,1-dimethyl ethyl) phosphite. ADME analysis demonstrated favorable drug-likeness properties for most
compounds according to Lipinski’s rule of five. Molecular docking results revealed that phenol 2,4-bis (1,1-dimethyl
ethyl) phosphite and adamantane-1-carboxamide exhibited significant binding affinity toward the target proteins,
comparable to the standard drug lifitegrast. These findings suggest that Cocculushirsutus possesses promising
bioactive compounds with potential therapeutic applications in the management of dry eye disease. However, further
in vitro and in vivo studies are required to validate these results and confirm their clinical applicability</Abstract><Email>vm7373mani@gmail.com</Email><articletype>Research</articletype><volume>16</volume><issue>1</issue><year>2026</year><keyword>Cocculushirsutus, Dry eye disease, Pharmacognostical evaluation, GC–MS analysis, Molecular docking, ADME prediction, Phytochemicals, Lifitegrast</keyword><AUTHORS>Charanya M1, Kalimuthu M1, Mugeshwaran S1, Reena V1, Sunilkumar R1, Mr Velmani C2*, Dr Ashokkumar P3</AUTHORS><afflication>1Department of Pharmascognosy, Kasthooribhagandhi Pharmacy College, Namakkal, Tamil Nadu. 2Assistant professor, Department of Pharmacognosy, Kasthooribhagandhi Pharmacy College, Namakkal, Tamil Nadu. 3Principal, Kasthooribhagandhi Pharmacy College, Namakk</afflication></Article></Articles>