Rahul Pawara

Computational identification of 2,4-disubstituted amino-pyrimidines as L858R/T790M-EGFR double mutant inhibitors using pharmacophore mapping, molecular docking, binding free energy calculation, DFT study and molecular dynamic simulation

Rahul Pawara, Iqrar Ahmad, Sanjay J. Surana et al. · In Silico Pharmacology · 2021 · 63 citations · Full text

Medicinal Chemistry, Drug Target, Biochemistry +9

Novel, selective acrylamide linked quinazolines for the treatment of double mutant EGFR-L858R/T790M Non-Small-Cell lung cancer (NSCLC)

Rahul Pawara, Iqrar Ahmad, Deepika Nayak et al. · Bioorganic Chemistry · 2021 · 61 citations

Medicinal Chemistry, Oncology, Selective Acrylamide +10

<i>In silico</i> search of triple mutant T790M/C797S allosteric inhibitors to conquer acquired resistance problem in non-small cell lung cancer (NSCLC): a combined approach of structure-based virtual screening and molecular dynamics simulation

Harun Patel, Iqrar Ahmad, Rahul Pawara et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 56 citations

Synthesis, Molecular Modeling Study, and Quantum-Chemical-Based Investigations of Isoindoline-1,3-diones as Antimycobacterial Agents

Iqrar Ahmad, Rahul Pawara, Rukaiyya T. Girase et al. · ACS Omega · 2022 · 49 citations · Full text

Synthesis, molecular modelling study of the methaqualone analogues as anti-convulsant agent with improved cognition activity and minimized neurotoxicity

Iqrar Ahmad, Sazedur Rahman Akand, Matin Shaikh et al. · Journal of Molecular Structure · 2021 · 47 citations

Molecular Modelling Study, Medicine, Pharmacological Agent +8