The roles of water in the protein matrix: a largely untapped resource for drug discovery

F Spyrakis, MH Ahmed, AS Bayden… - Journal of medicinal …, 2017 - ACS Publications
The value of thoroughly understanding the thermodynamics specific to a drug
discovery/design study is well known. Over the past decade, the crucial roles of water …

Assessment of catalytic, antimicrobial and molecular docking analysis of starch-grafted polyacrylic acid doped BaO nanostructures

M Ikram, A Haider, M Imran, J Haider, S Naz… - International Journal of …, 2023 - Elsevier
The removal of cationic dyes from water has received a great attention of researchers
considering their influence on environment and ecosystem. In current work, starch-grafted …

Synthesis of curcuma longa doped cellulose grafted hydrogel for catalysis, bactericidial and insilico molecular docking analysis

I Shahzadi, M Islam, H Saeed, A Haider… - International Journal of …, 2023 - Elsevier
Curcumin (diferuloylmethane), the primary curcuminoid in turmeric rhizome, has been
acknowledged as a bioactive compound for numerous pharmacological activities …

[HTML][HTML] Bacterial enoyl-reductases: the ever-growing list of fabs, their mechanisms and inhibition

FSM Hopf, CD Roth, EV de Souza, L Galina… - Frontiers in …, 2022 - frontiersin.org
Enoyl-ACP reductases (ENRs) are enzymes that catalyze the last step of the elongation
cycle during fatty acid synthesis. In recent years, new bacterial ENR types were discovered …

[HTML][HTML] Antimicrobial potential and rhodamine B dye degradation using graphitic carbon nitride and polyvinylpyrrolidone doped bismuth tungstate supported with in …

MH Ashfaq, M Imran, A Haider, A Shahzadi… - Scientific Reports, 2023 - nature.com
The environmental-friendly hydrothermal method has been carried out to synthesize
Bi2WO6 and g-C3N4/PVP doped Bi2WO6 nanorods (NRs) by incorporating different …

[HTML][HTML] Comparative study of selenides and tellurides of transition metals (Nb and Ta) with respect to its catalytic, antimicrobial, and molecular docking performance

S Altaf, A Haider, S Naz, A Ul-Hamid, J Haider… - Nanoscale Research …, 2020 - Springer
The present research is a comparative study that reports an economical and accessible
method to synthesize niobium (Nb) and Tantalum (Ta) selenides and tellurides with useful …

Biological evaluation, proposed molecular mechanism through docking and molecular dynamic simulation of derivatives of chitosan

RE Malekshah, F Shakeri, M Aallaei, M Hemati… - International Journal of …, 2021 - Elsevier
We synthesized Schiff base and its complexes derivatives of chitosan (CS) in order to
develop antibiotic compounds based on functionalized-chitosan against gram-positive and …

[HTML][HTML] Molecular modelling study and antibacterial evaluation of diphenylmethane derivatives as potential fabi inhibitors

S Hasan, K Kayed, R Ghemrawi, NA Bataineh… - Molecules, 2023 - mdpi.com
The need for new antibiotics has become a major worldwide challenge as bacterial strains
keep developing resistance to the existing drugs at an alarming rate. Enoyl-acyl carrier …

The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl‐Acyl Carrier Protein Binding Site of FabI

CD Fage, T Lathouwers, M Vanmeert… - Angewandte Chemie …, 2020 - Wiley Online Library
The enoyl‐acyl carrier protein reductase enzyme FabI is essential for fatty acid biosynthesis
in Staphylococcus aureus and represents a promising target for the development of novel …

Targeting multidrug resistant Staphylococcus aureus with cationic chlorpromazine‐peptide conjugates

A Panjla, G Kaul, A Akhir, D Saxena… - Chemistry–An Asian …, 2023 - Wiley Online Library
Antimicrobial resistance is a serious public health risk. Its severity is fueled on an
unprecedented scale, necessitating the demand for novel antimicrobial scaffolds aimed at …