[HTML][HTML] High throughput virtual screening and validation of Plant-Based EGFR L858R kinase inhibitors against Non-Small cell lung Cancer: An integrated approach …

K Gao, Z Chen, N Zhang, P Jiang - Saudi Pharmaceutical Journal, 2024 - Elsevier
Lung cancer ranks as the 2nd most common cancer globally. It's the most prevalent cancer
in men and the 2nd most common in women. The prominent events in EGFR-mutated non …

Designing and Synthesis of Novel Fexofenadine‐Derived Hydrazone‐Schiff Bases as Potential Urease Inhibitors: In‐Vitro, Molecular Docking and DFT Investigations

M Ayaz, A Alam, Zainab, AA Elhenawy… - Chemistry & …, 2024 - Wiley Online Library
Thirteen novel hydrazone‐Schiff bases (3–15) of fexofenadine were succesfully
synthesized, structurally deduced and finally assessed their capability to inhibit urease …

Coumarin Schiff base derivatives with 4′-alkoxy biphenyl-4-carboxaldehyde: synthesis, mesomorphic studies and DFT calculations

KD Katariya, K Nakum, R Soni - Journal of Molecular Structure, 2024 - Elsevier
Two homologous series of coumarin Schiff base derivatives with 4′-alkoxy biphenyl-4-
carboxaldehyde have been designed and synthesized. All the compounds were analyzed …

Smectogenic asymmetric naphthalene derived chalcones: Self-assembling behaviour and DFT studies

R Soni, KJ Nakum, K Katariya, M Hagar… - Journal of Molecular …, 2025 - Elsevier
A series of new naphthalene derived asymmetric benzoates incorporating chalcone unit
NPCH-(2–16) have been synthesized and investigated for their self-assembling behaviour …

Effect of terminal polar group on self-assembly behavior of hockey-stick shaped mesogen containing biphenyl ester Schiff base derivatives with chalcone moiety

R Soni, J Patil, K Katariya, S Marathe… - Journal of Molecular …, 2024 - Elsevier
In this study, the hockey-stick shaped mesogens H (6–16), F (6–16) and CN (6–16), based
on biphenyl ester (with flexible alkoxy chain n= 6, 8, 10, 12, 14, 16) and chalcone derivatives …

New Molecularly Flexible Self-Assembling Benzothiadiazole Derivatives: Mesomorphism And DFT Investigations

R Soni, KJ Nakum, K Katariya, SAA Bishr… - Journal of Molecular …, 2025 - Elsevier
In the present study, we have synthesized symmetric/unsymmetrical BTD embedded self-
assembling molecules and investigated for their mesomorphic properties. Two symmetrical …

Coumarin Schiff base derivatives with asymmetric naphthalene: Synthesis, mesomorphic studies and DFT calculations

KD Katariya, R Soni - Journal of Molecular Structure, 2025 - Elsevier
Coumarin Schiff base derivatives NC (2–16) with 7-(decyloxy) naphthalen-2-yl-4-
formylbenzoate have been designed, synthesized and characterized by IR, 1 H NMR, 13 C …

Coumarin Schiff base derivatives with terminal cyano group: Synthesis, Mesomorphic properties and DFT investigation

K Katariya, J Patil, G Changole, K Nakum… - Journal of Molecular …, 2024 - Elsevier
Coumarin Schiff base derivatives with terminal cyano group were synthesized and analysed
for their mesomorphic behaviour. The homologous series CN6-16 (n= 6, 8, 10, 12, 14, 14 …

Exploring induced smectic phases of hydrogen bond liquid crystals for nonlinear optical applications: Theoretical (DFT) and experimental approach

S Kavitha, M Saravanakumar, A Kiranisha… - Journal of Molecular …, 2024 - Elsevier
A new intermolecular hydrogen bond liquid crystal (HBLC) complex has been isolated and
characterized. The HBLC complex is synthesized by mixing of non mesogenic (E)-3-(3, 4, 5 …

Efficient Synthesis and in-silico studies of Pyrano [3, 2-c] pyrones based Glycohybrids

K Yadav, A Khanna, R Tyagi, S Sharma… - Journal of Molecular …, 2024 - Elsevier
This work is comprising of designing, efficient synthesis and molecular docking studies of
pyrano [3, 2-c] pyrones based stereodivergent glycohybrids. The diverse pyrano [3, 2-c] …