Faculty Publications

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Scholarly Publications by Integral Academia

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    Synthesis and in silico Analysis of 4,5-dihydro-1H-pyrazole derivative
    (Tashkent Institute of Chemical Technology, 2026) Mohd Akil, Iqbal Azad, Abdul Rahman Khan, Naseem Ahmad
    The present work reports the synthesis of novel chalcone‐derived compounds obtained via simple condensation of chalcone derivatives with phenyl hydrazine. Their design, preparation, and biological assessment are described in detail. Structural elucidation was confirmed by FTIR, 1H NMR, 13C NMR, and HRMS analyses. In‐silico ADMET profiling, carried out using AdmetLab 3.0 and SwissADME, indicated favorable pharmacokinetic and toxicity parameters, closely resembling those of reference agents Amphotericin B and Ciprofloxacin. These findings underscore the promise of chalcone scaffolds as versatile templates for antibacterial drug development.
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    Synthesis of oxindole Schiff's base derivatives: Drug likeness and ADMET studies
    (Book Rivers, 2026) Mohammad Amir, Ayesha Anwer, Umme Habiba Malik, Malik Nasibullah
    Our research goes to the synthesis of oxindole derivatives as newly drug-like small molecules. However, we synthesized oxindole-Schiff's bases (3a-b) and demonstrated computational chemistry and comparative studies with the standard multi-purpose FDA-approved Bevacizumab anticancer drug. All the synthesized compounds (3a and 3b) were characterized using UV and FT-IR spectral analysis. Further the drug-likeness properties of the synthesized compounds were demonstrated through in silico studies as a preliminary investigation. We found that synthesized compounds showed drug-like properties due to the molecular weight (M.W. < 500 Da), the number of H-bond donors (HBDs: < 5). H-bond acceptors (HBAs: 10), rotatable bonds (<10), topological polar surface area (TPSA) not higher than the thresholds of 140 A2, and the octanol-water partition coefficient (Log P) not exceeding the value of 5 constitute a number of these descriptors. In the future, the newly synthesized oxindole derivatives could be analyzed as anticancer properties against various cancer cell lines through in-vitro as well as in-vivo studies.