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

Structure-Based and AI-Assisted Identification of AGPS Inhibitors for Glioma via Integrated Docking, Molecular Dynamics, and Binding Affinity Screening

基于结构和人工智能辅助的胶质瘤AGPS抑制剂的整合对接、分子动力学和结合亲和力筛选

Thaikkad, Amritha; Thomas, Sonet Daniel; Dcunha, Leona; John, Levin; Vijayan, Jishna; Joy, Naveen; R Dev, Radul; Raju, Rajesh; Jayanandan, Abhithaj

Machine learning-based QSAR and molecular modeling of phytocompounds in Barleria buxifolia L. as a potential aldose reductase inhibitor

基于机器学习的定量构效关系(QSAR)和分子建模研究了巴氏刺槐(Barleria buxifolia L.)中的植物化合物作为潜在醛糖还原酶抑制剂的作用

Dev, Radul R; Lalu, Anjana C; Zarin, Sinana; Joseph, Bristow Ben; Raju, Rajesh; Jayanandan, Abhithaj; Thekkan, Sangeeth

Targeting KasA: isosakuranetin derivatives as promising scaffolds for novel anti-tuberculosis agents against drug-resistant Mycobacterium tuberculosis

靶向KasA:异樱草素衍生物作为新型抗结核药物的潜在骨架,可用于对抗耐药结核分枝杆菌

Angitha, B; Amritha, T; Dev, Radul R; Raju, Rajesh; Umesh, C V; Abhithaj, J

Analysis of phosphomotifs coupled to phosphoproteome and interactome unveils potential human kinase substrate proteins in SARS-CoV-2

对与磷酸化蛋白质组和相互作用组相关的磷酸化基序的分析揭示了SARS-CoV-2中潜在的人类激酶底物蛋白。

Shaji, Vineetha; Rafi, Ahmad; Ahmed, Mukhtar; Gopalakrishnan, Athira Perunelly; Soman, Sowmya; Revikumar, Amjesh; Prasad, Ganesh; Jayanandan, Abhithaj; Raju, Rajesh

Uncovering human kinase substrates in nipah proteome

在尼帕草蛋白质组中发现人类激酶底物

Shaji, Vineetha; Anil, Akash; Jabbar, Ayisha A; Mahin, Althaf; Rafi, Ahmad; Revikumar, Amjesh; Soman, Sowmya; Prasad, Ganesh; Pinto, Sneha M; Subbannayya, Yashwanth; Jayanandan, Abhithaj; Raju, Rajesh

Repurposing FDA-Approved Drugs as Hendra Virus RNA-Dependent RNA Polymerase Inhibitors: A Comprehensive Computational Drug Discovery Approach

将FDA批准的药物重新用于亨德拉病毒RNA依赖性RNA聚合酶抑制剂:一种综合的计算药物发现方法

Lalu, Anjana C; Kundil, Varun Thachan; Joseph, Bristow Ben; Dev, Radul R; Thaikkad, Amritha; Subair, Suhail; Raju, Rajesh; Jayanandan, Abhithaj

Compounds of Citrus medica and Zingiber officinale for COVID-19 inhibition: in silico evidence for cues from Ayurveda

柑橘和生姜中的化合物对抑制新冠病毒的作用:来自阿育吠陀的计算机模拟证据

Haridas, M; Sasidhar, Vijith; Nath, Prajeesh; Abhithaj, J; Sabu, A; Rammanohar, P

Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target

利用基于E-药效团的虚拟筛选、分子对接和分子动力学方法,以主要蛋白酶为靶点,进行针对SARS-CoV-2的药物再利用研究

Arun, K G; Sharanya, C S; Abhithaj, J; Francis, Dileep; Sadasivan, C