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

In silico exploration of biosynthetic gene clusters in marine Streptomyces sp. and Nocardiopsis sp. from the western coast of India: Genome-based profiling using whole genome sequencing

利用全基因组测序技术,通过计算机模拟探索印度西海岸海洋链霉菌属和诺卡氏菌属的生物合成基因簇:基于基因组的分析

Kumar, Hithesh; Vijayakumar, Santhiya; Shintre, Neha; Tamhane, Vaijayanti; Deshpande, Neelima; Joshi, Tushar; Mathpal, Shalini; Anbarasu, Anand; Ramaiah, Sudha

In-silico evaluation of Azadirachta indica-derived Daucosterol against key viral proteins of Ebolavirus using ML and MD simulations approach

利用机器学习和分子动力学模拟方法对印度楝树提取物胡萝卜甾醇对抗埃博拉病毒关键病毒蛋白的活性进行计算机模拟评估

Joshi, Tushar; Priyamvada, Priyamvada; Mathpal, Shalini; Sriram, Suratha; Madaan, Shivani; Ramaiah, Sudha; Anbarasu, Anand

Identifying Novel Therapeutics for the Resistant Mutant "F533L" in PBP3 of Pseudomonas aeruginosa Using ML Techniques

利用机器学习技术鉴定铜绿假单胞菌PBP3耐药突变体“F533L”的新型治疗方法

Joshi, Tushar; Vijayakumar, Santhiya; Ghosh, Soumyadip; Mathpal, Shalini; Ramaiah, Sudha; Anbarasu, Anand

In silico screening of chalcone derivatives as promising EGFR-TK inhibitors for the clinical treatment of cancer

利用计算机模拟筛选查尔酮衍生物作为有前景的EGFR-TK抑制剂用于癌症临床治疗

Mathpal, Shalini; Joshi, Tushar; Sharma, Priyanka; Maiti, Priyanka; Nand, Mahesha; Pande, Veena; Chandra, Subhash

Integrated Machine Learning and Chemoinformatics-Based Screening of Mycotic Compounds against Kinesin Spindle ProteinEg5 for Lung Cancer Therapy

基于机器学习和化学信息学的真菌化合物筛选及其在肺癌治疗中的应用

Maiti, Priyanka; Sharma, Priyanka; Nand, Mahesha; Bhatt, Indra D; Ramakrishnan, Muthannan Andavar; Mathpal, Shalini; Joshi, Tushar; Pant, Ragini; Mahmud, Shafi; Simal-Gandara, Jesus; Alshehri, Sultan; Ghoneim, Mohammed M; Alruwaily, Maha; Awadh, Ahmed Abdullah Al; Alshahrani, Mohammed Merae; Chandra, Subhash

Identification of Zinc-Binding Inhibitors of Matrix Metalloproteinase-9 to Prevent Cancer Through Deep Learning and Molecular Dynamics Simulation Approach

利用深度学习和分子动力学模拟方法鉴定基质金属蛋白酶-9的锌结合抑制剂以预防癌症

Mathpal, Shalini; Sharma, Priyanka; Joshi, Tushar; Pande, Veena; Mahmud, Shafi; Jeong, Mi-Kyung; Obaidullah, Ahmad J; Chandra, Subhash; Kim, Bonglee

A dynamic simulation study of FDA drug from zinc database against COVID-19 main protease receptor

一项针对锌数据库中FDA批准的药物与COVID-19主要蛋白酶受体相互作用的动态模拟研究

Mathpal, Shalini; Joshi, Tushar; Sharma, Priyanka; Joshi, Tanuja; Pundir, Hemlata; Pande, Veena; Chandra, Subhash

Identification of natural inhibitors against Mpro of SARS-CoV-2 by molecular docking, molecular dynamics simulation, and MM/PBSA methods

利用分子对接、分子动力学模拟和MM/PBSA方法鉴定SARS-CoV-2 Mpro的天然抑制剂

Sharma, Priyanka; Joshi, Tushar; Mathpal, Shalini; Joshi, Tanuja; Pundir, Hemlata; Chandra, Subhash; Tamta, Sushma

Assessment of activity of chalcone compounds as inhibitors of 3-chymotrypsin like protease (3CL(Pro)) of SARS-CoV-2: in silico study

查尔酮类化合物作为SARS-CoV-2 3-胰凝乳蛋白酶样蛋白酶(3CL(Pro))抑制剂的活性评估:计算机模拟研究

Mathpal, Shalini; Joshi, Tushar; Sharma, Priyanka; Pande, Veena; Chandra, Subhash

Pharmacophore modeling, docking and the integrated use of a ligand- and structure-based virtual screening approach for novel DNA gyrase inhibitors: synthetic and biological evaluation studies

药效团建模、对接以及基于配体和结构的虚拟筛选方法的综合应用,用于新型 DNA 旋转酶抑制剂的合成和生物学评价研究

Deepti Mathpal, Mukesh Masand, Anisha Thomas, Irfan Ahmad, Mohd Saeed, Gaffar Sarwar Zaman, Mehnaz Kamal, Talha Jawaid, Pramod K Sharma, Madan M Gupta, Santosh Kumar, Swayam Prakash Srivastava, Vishal M Balaramnavar