| S. No | Title of Paper | Name of Journal | National/ International | Publication date |
| 1 | Thidiazuron: a multi-dimensional plant growth regulator | Afr. J. Biotech. | International | 2011 |
| 2 | Ethnobotany and research trends in T.ammi; a popular folklore remedy | American-Eurasian J. Agri. Env. Sci. | International | 2015 |
| 3 | Computational exploration for lead compounds that can reverse the nuclear morphology in Progeria | BioMed Res. Int. | International | 2017 |
| 4 | Targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modeling approaches | Computational Biology & Chemistry | International | 2018 |
| 5 | Prokaryotic diversity from extreme environments of Pakistan and its potential applications at regional levels | bioRxiv | International | 2018 |
| 6 | Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach | J Bioinformatics and Comp. Bio. | International | 2018 |
| 7 | Biochemical and structural basis of triclosan resistance in a novel enoyl-acyl carrier protein reductase | Antimicrobial agents and chemotherapy | International | 2018 |
| 8 | Molecular and in silico analysis validates pathogenicity of homozygous mutations in the NPR2 gene underlying variable phenotypes of acromesomelic dysplasia, type Maroteaux | Int. J. Biochem. Cell Bio. | International | 2018 |
| 9 | Identification of novel scaffolds with dual role as antiepileptic and anti-breast cancer | IEEE/ACM Transactions on Computational Biology and Bioinformatics | International | 2018 |
| 10 | Structure-based drug designing recommends HDAC6 inhibitors to attenuate microtubule-associated Tau-pathogenesis | ACS Chemical Neuroscience | International | 2018 |
| 11 | Discovery of non-peptidic compounds against chagas disease applying pharmacophore guided molecular modelling approaches | Molecules | International | 2018 |
| 12 | Exploration for novel inhibitors showing back-to-front approach against VEGFR-2 kinase domain (4AG8) employing molecular docking mechanism and molecular dynamics simulations | BMC Cancer | International | 2018 |
| 13 | Ginger (Zingiber officinale) phytochemical-gingerenone-A and shagol inhibit SaHPPK: molecular docking, molecular dynamics simulations and in vitro analysis | Annals of clinical microbiology and antimicrobial | International | 2018 |
| 14 | Identification of protein differentially expressed in the striatum by melatonin in a middle cerebral artey occlusion Rat model – a proteomic and in silico approach | Frontiers in neuroscience | International | 2018 |
| 15 | Discovery of potential plant-derived peptide deformylase (PDF) inhibitors for multidrug-resistant bacteria using computational studies | J. Clinical Med. | International | 2018 |
| 16 | Computational simulation identified two candidate inhibitors of Cdk5/p25 to abrogate tau-associated neurological disorders | Computational and Structural Biotechnology Journal | International | 2019 |
| 17 | Modulation of aromatase by natural compounds – a pharmacophore guided molecular modelling simulations | South African J. Bot. | International | 2019 |
| 18 | In silico study probes potential inhibitors of human dihydrofolate reductase for cancer therapeutics | J. Clinical Med. | International | 2019 |
| 19 | Discovery of novel acetylcholinesterase inhibitors as potential candidates for the treatment of Alzheimer’s disease | Int. J. Mol. Sci. | International | 2019 |
| 20 | Therapeutic applications of coconut water mitigates diabetes mellitus in Oryctolaguscuniculus (Rabbit) | BioMed. J. Sci. Tech. Res. | International | 2019 |
| 21 | Ferulic acid rescues LPS-induced neurotoxicity via modulation of the TLR4 receptor in the mouse hippocampus | Molecular Neurobiology | International | 2019 |
| 22 | Pharmacotherapeutics and molecular mechanism of phytochemicals in alleviating hormone-responsive breast cancer | Oxidative Medicine and Cellular Longevity | International | 2019 |
| 23 | Investigation of novel chemical scaffolds targeting prolyl oligopeptidase for neurological therapeutics | Journal of Molecular Graphics and Modelling | International | 2019 |
| 24 | Computational simulations identify pyrrolidine-2, 3-dione derivatives as novel inhibitors of Cdk5/p25 complex to attenuate Alzheimer’s pathology | Journal of Clinical Medicine | International | 2019 |
| 25 | Biochemical and Structural Insights Concerning Triclosan Resistance in a Novel YX7K Type Enoyl-Acyl Carrier Protein Reductase from Soil Metagenome | Scientific Reports | International | 2019 |
| 26 | Integration of virtual screening and computational simulation identifies photodynamic therapeutics against human Protoporphyrinogen Oxidase IX (hPPO) | Arabian Journal of Chemistry | International | 2020 |
| 27 | In silico study identified methotrexate analog as potential inhibitor of drug resistant human dihydrofolate reductase for cancer therapeutics | Molecules | International | 2020 |
| 28 | Exploring the catalytic significant residues of serine protease using substrate-enriched residues and a peptidase inhibitor | Korean Society for Microbiology and Biotechnology | International | 2021 |
| 29 | Isolation and Characterization of an Acidic, Salt-Tolerant Endoglucanase Cel5A from a Bacterial Strain Martelella endophytica YC6887 Genome | Molecular Biotechnology | International | 2021 |
| 30 | 3D-QSAR-based pharmacophore modeling, virtual screening, and molecular dynamics simulations for the identification of spleen tyrosine kinase inhibitors | Frontiers in Cellular and Infection Microbiology | International | 2022 |
| 31 | De novo molecular design with deep molecular generative models for PPI inhibitors | Briefings in Bioinformatics | International | 2022 |
| 32 | Development of an innovative data-driven system to generate descriptive prediction equation of dielectric constant on small sample sets | Heliyon | International | 2022 |
| 33 | Determination of Antioxidant Activity of Acacia Nilotica Linn from different Regions of Baluchistan (Pakistan) | Journal of Chemistry and Environment | National | 2022 |
| 34 | Application of a deep generative model produces novel and diverse functional peptides against microbial resistance | Computational and Structural Biotechnology Journal | International | 2023 |
| 35 | Transformer-Based Molecular Generative Model for Antiviral Drug Design | Journal of Chemical Information and Modeling | International | 2023 |
| 36 | Microbial Fuel Cell, Their Type, Working Principle and Different Factors Affecting Their Performance: A Review | Sustainable Chemical Engineering | International | 2023 |
| 37 | Structure based virtual screening and molecular simulation study of FDA-approved drugs to inhibit human HDAC6 and VISTA as dual cancer immunotherapy | Scientific Reports | International | 2023 |
