Molecular dynamic simulations reveal structural insights into substrate and inhibitor binding modes and functionality of Ecto-Nucleoside Triphosphate Diphosphohydrolases

por Iqbal, Jamshed, Shah, Syed Jawad Ali
Publicado 2018

Deciphering the Effect of Lysine Acetylation on the Misfolding and Aggregation of Human Tau Fragment (171)IPAKTPPAPK(180) Using Molecular Dynamic Simulation and the Markov State Mo...

por Shah, Syed Jawad Ali, Zhong, Haiyang, Zhang, Qianqian, Liu, Huanxiang
Publicado 2022

Synthesis of Sulfonamide Tethered (Hetero)aryl ethylidenes as Potential Inhibitors of P2X Receptors: A Promising Way for the Treatment of Pain and Inflammation

por Mahmood, Abid, Munir, Rubina, Zia-ur-Rehman, Muhammad, Javid, Noman, Shah, Syed Jawad Ali, Noreen, Lubna, Sindhu, Tayyaba Allamgir, Iqbal, Jamshed
Publicado 2021

Development, Molecular Docking, and In Silico ADME Evaluation of Selective ALR2 Inhibitors for the Treatment of Diabetic Complications via Suppression of the Polyol Pathway

por Imran, Aqeel, Shehzad, Muhammad Tariq, Shah, Syed Jawad Ali, Laws, Mark, al-Adhami, Taha, Rahman, Khondaker Miraz, Khan, Imtiaz Ali, Shafiq, Zahid, Iqbal, Jamshed
Publicado 2022

Development and exploration of novel substituted thiosemicarbazones as inhibitors of aldose reductase via in vitro analysis and computational study

por Imran, Aqeel, Shehzad, Muhammad Tariq, Shah, Syed Jawad Ali, al Adhami, Taha, Laws, Mark, Rahman, Khondaker Miraz, Alharthy, Rima D., Khan, Imtiaz Ali, Shafiq, Zahid, Iqbal, Jamshed
Publicado 2022

Synthesis, Carbonic Anhydrase II/IX/XII Inhibition, DFT, and Molecular Docking Studies of Hydrazide-Sulfonamide Hybrids of 4-Methylsalicyl- and Acyl-Substituted Hydrazide

por Khushal, Adil, Mumtaz, Amara, Shadoul, Wamda Ahmed, Zaidi, Syeda Huda Mehdi, Rafique, Hummera, Munir, Abida, Maalik, Aneela, Shah, Syed Jawad Ali, Baig, Ayesha, Khawaja, Wajiha, al-Rashida, Mariya, Hashmi, Muhammad Ali, Iqbal, Jamshed
Publicado 2022