A5025987053- Computational Drug Discovery Methods
- SARS-CoV-2 and COVID-19 Research
- Synthesis and biological activity
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- thermodynamics and calorimetric analyses
- Plant-Microbe Interactions and Immunity
- Neuropeptides and Animal Physiology
- Click Chemistry and Applications
- Phenothiazines and Benzothiazines Synthesis and Activities
- Medicinal Plants and Neuroprotection
- Immune Cell Function and Interaction
- Plant Molecular Biology Research
- vaccines and immunoinformatics approaches
- Cholinesterase and Neurodegenerative Diseases
- Monoclonal and Polyclonal Antibodies Research
- Diverse Scientific Research Studies
- Cancer Mechanisms and Therapy
- Signaling Pathways in Disease
- Cancer-related Molecular Pathways
- Stress Responses and Cortisol
- Plant Virus Research Studies
- Toxin Mechanisms and Immunotoxins
- CAR-T cell therapy research
- Cancer therapeutics and mechanisms
University of Karachi
2020-2024
International Center for Chemical and Biological Sciences
2020-2024
Government College University, Faisalabad
2022-2024
Riyadh Elm University
2019
Recently, the world has witnessed outbreak of a novel Coronavirus (SARS-CoV-2), virus which initially emerged in Wuhan, China now made its way to large part world, resulting public emergency international concern. The functional importance Chymotrypsin-like protease (3CLpro) viral replication and maturation turns it into an attractive target for development effective antiviral drugs against SARS other coronaviruses. At present, there is no standard drug regime nor any vaccine available...
Abstract Tumor Necrosis Factor Alpha (TNF-α) is a pleiotropic pro-inflammatory cytokine. It act as central biological regulator in critical immune functions, but its dysregulation has been linked with number of diseases. Inhibition TNF-α considerable therapeutic potential for diseases such cancer, diabetes, and especially autoimmune Despite the fact that many small molecule inhibitors have identified against TNF-α, no orally active drug reported yet which demand an urgent need TNF-α. This...
Passion fruit is widely cultivated in tropical, subtropical regions of the world. The attack bacterial and fungal diseases, environmental factors heavily affect yield productivity passion fruit. CC-NBS-LRR (CNL) gene family being a subclass R-genes protects plant against pathogens plays major role effector-triggered immunity (ETI). However, no information available regarding this To address underlying problem total 25 21 CNL genes have been identified genome purple ( Passiflora edulis Sims.)...
The COVID-19 pandemic has claimed more than a million lives worldwide within short time span. Due to the unavailability of specific antiviral drugs or vaccine, infections are causing panic both in general public and among healthcare providers. Therefore, an urgent discovery development effective drug for treatment is highly desired. Targeting main protease (Mpro) causative agent, SARS-CoV-2 great potential repurposing efforts. Published crystal structures Mpro further facilitated silico...
Cyclic nucleotide-gated channels (CNGC) gene family has been found to be involved in physiological processes including signaling pathways, environmental stresses, plant growth, and development. This of non-selective cation is known regulate the uptake calcium reported several species. The pangenome-wide studies enable researchers understand genetic diversity comprehensively; as a comparative analysis multiple species or member at once helps better evolutionary relationships present among...
The pandemic of COVID-19, caused by SARS-CoV-2, has globally affected the human health and economy. Since emergence novel coronavirus life-threatening virus continues to mutate evolve. Irrespective acquired natural immunity vaccine-induced immunity, emerging multiple variants are growing exponentially, crossing territorial barriers modern world. rapid SARS-CoV-2 challenges global researchers regarding efficacy available vaccines variant transmissibility. surface-anchored S-protein recognizes...
The search for an effective anti-viral to inhibit COVID-19 is a challenge the specialized scientific research community. This work investigated anti-coronavirus activity spirooxindole-based phenylsulfone cycloadducts in single and combination protocols. newly designed anti-SARS-CoV-2 therapeutics spirooxindoles synthesized by [3 + 2] cycloaddition reactions represent efficient approach. One-pot multicomponent between phenyl vinyl sulfone, substituted isatins, amines afforded highly...
Currently, acetylcholinesterase (AChE) inhibiting drugs in clinical use, such as tacrine, donepezil, rivastigmine, and galanthamine, are associated with serious side effects short half-lives. In recent years, numerous phytochemicals have been identified inhibitors of cholinesterases potential applications the management Alzheimer's disease (AD). this study three natural coumarins, 2'-O-ethylmurrangatin (1), murranganone (2), paniculatin (3) isolated previously by our group from leaves...
During the past two decades, world has witnessed emergence of various SARS-CoV-2 variants with distinct mutational profiles influencing global health, economy, and clinical aspects COVID-19 pandemic. These or mutants have raised major concerns regarding protection provided by neutralizing monoclonal antibodies vaccination, rates virus transmission, and/or risk reinfection. The newly emerged Omicron, a genetically lineage SARS-CoV-2, continues its spread in face rising vaccine-induced...
A series of spirooxindoles-based N-alkylated maleimide derivatives (AMIs) were synthesized and their inhibition profile also reported. Three component, one-pot [3 + 2] cycloaddition (32CA) reactions isatin, amino acids AMIs found to proceed via syn-anti-azomethine ylides (AYs) endo-addition AMIs. These 32CA present a very low activation enthalpy, 5.1 kcal·mol−1, as consequence the supernucleophilic character AYs strong nucleophilic The favorable electrostatic interactions taking place at...
Abstract We synthesized a novel compound library featuring spirooxindole core structure combined with various heterocycles, including benzofuran, benzothiophene, and thiophene scaffolds. Evaluation using MTT assays against HepG2, 4T1, MDA‐MB‐231 cells revealed the most potent candidate, hybrid 5c , an IC50 of 5 ± 0.6 µM inducing G2/M phase cell cycle arrest, inhibition wound healing, induction ROS. Selected conjugates exhibited significant inhibitory potential MDM2, KD values ranging from...
Interleukin-2-inducible T-cell kinase (ITK) is a crucial intracellular signaling mediator in normal and malignant T-cells natural killer cells. Selective inhibition of ITK might be useful for treating variety disorders including; autoimmune, inflammatory, neoplastic disorders. Over the past two decades, clinical management inhibitors has progressed dramatically. So far, specific inhibitor with no off-target effects against available. Herein, we aim to discover potential virtual hits fasten...
The Galaninergic system consist of Galanin and its receptors, involved in neuromodulation neurotransmission. regulate physiologic pathologic functions by interacting with three G-protein coupled receptors; GalR1, GalR2 GalR3. widespread distribution receptor subtypes central peripheral nervous makes them an attractive drug target for the treatment neurological diseases. However, selective ligands paucity little structural information related to either receptors receptor-ligand complexes...
Betamethasone is an important glucocorticoids (GCs), frequently used to cure allergies (such as asthma and angioedema), Crohn’s disease, skin diseases dermatitis psoriasis), systemic lupus erythematosus, rheumatic disorders, leukemia. Present investigation deals find potential agonist of glucocorticoid receptors after biotransformation betamethasone dipropionate (1) carry out the molecular docking ADME analyses. Biotransformation 1 was carried with Launaea capitata (dandy) roots Musa...