Structure-based multi-ligand molecular modeling to predict the synergistic effects of limonin and obacunone from Simiao pill against nitric oxide synthase 3 associated with hyperuricemia.                            

Qing-Hong Chen, Xiao-Mei Chen, Xiao-Hu Chen, Yan-Ting You, Shu-Xuan Yang, Chuang-Hai Wu, Mei-Lin Chen, Ming-Di Li, Akari Komori, Yan-Yan Liu, Andrew Hung, Xiao-Shan Zhao, Hong Li

In silico analysis of TUBA4A mutations in Amyotrophic Lateral Sclerosis to define mechanisms of microtubule disintegration.                       

Ganne A, Balasubramaniam M, Ayyadevara H, Kiaei L, Shmookler Reis RJ, Varughese KI, Kiaei M.

Lycopene Scavenges Cellular ROS, Modulates Autophagy and Improves Survival through 7SK snRNA Interaction in Smooth Muscle Cells.         

Shati AA, Eid RA, Zaki MSA, Alqahtani YA, Al-Qahtani SM, Chandramoorthy HC.

Insilco and Invitro approaches identify novel dual PI3K/AKT pathway inhibitors to control acute myeloid leukemia cell proliferations.         

Abohassan M, Alshahrani M, Alshahrani MY, Rajagopalan P.

GC/MS characterization and computational kinome-wide screening of pomegranate fruit extract identifies key phytochemicals interacting to CDK kinases implicated in acute myeloid leukemia cells

Abohassan M, Al Shahrani M, Ahmad I, Abullais SS, Srivastava S, Rajagopalan P.

High-throughput virtual screening and preclinical analysis identifies CB-1, a novel potent dual B-Raf/c-Raf inhibitor, effective against wild and mutant variants of B-Raf expression in colorectal carcinoma.

Al Shahrani M, Abohassan M, Y Alshahrani M, Hakami AR, Rajagopalan P.

J Comput Aided Mol Des. (2021) View publication

A combined Chemical, Computational and invitro approach identifies SBL 105 as novel DHODH inhibitor in Acute Myeloid Leukemia cells.

Kamli H, Zaman GS, Shaikh A, Mobarki AA, Rajagopalan P.

Oncol Res. (2021) View publication

The SMAC mimetic AT-101 exhibits anti-tumor and anti-metastasis activity in lung adenocarcinoma cells by the IAPs caspase-dependent apoptosis and p65-NFƙB cross-talk.

Ahmad, I., Irfan, S., Masroor Ali Beg, M., Kamli, H., Ali, S., Begum, N., Alshahrani, .., Rajagopalan, P.

Iranian Journal of Basic Medical Sciences (2021) View publication

CB-RAF600E-1 exerts efficacy in vemurafenib-resistant and non-resistant-melanoma cells via dual inhibition of RAS/RAF/MEK/ERK and PI3K/Akt signaling pathways.

Al Shahrani M, Rajagopalan P, Abohassan M, Alshahrani M, Alraey Y.

Saudi J Biol Sci. (2022) View publication

Structure activity evaluation and computational analysis identify potent, novel 3-benzylidene chroman-4-one analogs with anti-fungal, anti-oxidant, and anti-cancer activities.

Zaman GS, Kamli H, Radhakrishnan S, Ahmad I, Otifi H, Alshahrani MY, Rajagopalan P.

JDrug Dev Ind Pharm. (2021) View publication