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Aneela Khushal

comsats university islamabad

H指数:4

被引数:54

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Synthesis, multi-target enzyme inhibition, and in silico evaluation of phthalimide derivatives with relevance to tuberculosis-associated pathophysiology

邻苯二甲酰亚胺衍生物的合成、多靶点酶抑制及与结核病相关病理生理学相关的计算机模拟评估

Bioorganic Chemistry

IF4.7

2026-08-310

PRE

E-Stilbene-Based Hydrazide-1,3,4-Oxadiazole Hybrids as Potential Anticancer Dual Carbonic Anhydrase-I and Thymidine Phosphorylase Inhibitors: In Vitro and In Silico Studies

E- stilbene衍生的酰肼-1,3,4-噁二唑杂合物作为潜在的抗肿瘤双碳酸酐酶-I和胸苷磷酸酶抑制剂：体外和计算机模拟研究

ChemistrySelect

IF2

2026-01-070

PRE

‘Unlocking the potential of cefuroxime axetil metal complexes: a multifaceted approach to discovering β-glucosidase inhibitors through MD simulations, POM analyses, and pharmacophore site identification’

‘解锁cefuroxime axetil金属配合物的潜力：通过分子动力学模拟、POM分析以及药效基团位点识别，发现β-葡萄糖苷酶抑制剂的多种途径’

biomolecular structure dynamics

IF0

2025-06-110

PRE

Unraveling potential EGFR kinase inhibitors: Computational screening, molecular dynamics insights, and MMPBSA analysis for targeted cancer therapy development

解析潜在EGFR激酶抑制剂：计算筛选、分子动力学见解及MMPBSA分析在靶向癌症疗法开发中的应用

IF2.6

2025-05-090

OA

Exploring S-benzyl carbodithioates as urease inhibitors: synthesis, single crystal XRD, Hirshfeld surface analysis, enzyme inhibition and molecular modeling

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2024-09-0111

PRE

Novel Coumarin Derivatives as Potential Urease Inhibitors for Kidney Stone Prevention and Antiulcer Therapy: From Synthesis to In Vivo Evaluation

PHARMACEUTICALS

IF4.8

2023-11-026

OAAI

Bioactivity-Guided Synthesis: In Silico and In Vitro Studies of β-Glucosidase Inhibitors to Cope with Hepatic Cytotoxicity

IF4.6

2023-09-090

OAAI