日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Molecular exploration of natural and synthetic compounds databases for promising hypoxia inducible factor (HIF) Prolyl-4- hydroxylase domain (PHD) inhibitors using molecular simulation and free energy calculations

利用分子模拟和自由能计算,对天然和合成化合物数据库进行分子探索,以寻找有前景的缺氧诱导因子(HIF)脯氨酰-4-羟化酶结构域(PHD)抑制剂。

Sayaf, Abrar Mohammad; Kousar, Kafila; Suleman, Muhammad; Albekairi, Norah A; Alshammari, AbdulRahman; Mohammad, Anwar; Khan, Abbas; Agouni, Abdelali; Yeoh, Kar Kheng

Preliminary Structural Data Revealed That the SARS-CoV-2 B.1.617 Variant's RBD Binds to ACE2 Receptor Stronger Than the Wild Type to Enhance the Infectivity

初步结构数据显示,SARS-CoV-2 B.1.617 变异株的 RBD 与 ACE2 受体的结合力强于野生型,从而增强了其感染性。

Khan, Abbas; Wei, Dong-Qing; Kousar, Kafila; Abubaker, Jehad; Ahmad, Sajjad; Ali, Javaid; Al-Mulla, Fahd; Ali, Syed Shujait; Nizam-Uddin, N; Mohammad Sayaf, Abrar; Mohammad, Anwar

Phytochemicals from Selective Plants Have Promising Potential against SARS-CoV-2: Investigation and Corroboration through Molecular Docking, MD Simulations, and Quantum Computations.

特定植物中的植物化学物质对SARS-CoV-2具有良好的抗病毒潜力:通过分子对接、MD模拟和量子计算进行研究和证实

Kousar Kafila, Majeed Arshia, Yasmin Farkhanda, Hussain Waqar, Rasool Nouman