Faculty Publications
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Scholarly Publications by Integral Academia
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Item The Potentiality of Vanadium Complexes as Antibacterial Agents †(MDPI, 2026) Kulsum Hashmi, Satya, Priya Mishra, Ekhlakh Veg, Tahmeena Khan, Seema JoshiMetal ions and ligand binding are crucial in various biological processes, and their rational design can be used to develop novel therapeutic drugs and diagnostic tools. Metal atoms are soluble in biological fluids due to their ability to easily lose electrons and form positively charged ions. Because of their electron deficiency, they can interact with electron-rich biomolecules like proteins and DNA, and potentially participate in catalytic mechanisms or stabilize their tertiary or quaternary structures. Antibacterial resistance has become a major global concern and requires novel strategies to combat resistance mechanisms in infectious microbes.Item Synthesis of oxindole Schiff's base derivatives: Drug likeness and ADMET studies(Book Rivers, 2026) Mohammad Amir, Ayesha Anwer, Umme Habiba Malik, Malik NasibullahOur 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.
