• Prof. Dr. Abdul Wadood

  • Experience

    Designation Service Type From To
    Professor TTS Jun 1, 2021 Dec 23, 2020
    Associate Professor TTS Jun 1, 2017 May 31, 2021
    Assistant Professor TTS Oct 18, 2010 May 31, 2017

  • Biblography

    Dr. Abdul Wadood received his PhD from HEJ Research Institute of Chemistry, University of Karachi, Pakistan and Post Doctorate from the University of Manchester, United Kingdom. He is currently working as tenured professor in the department of Biochemistry. His research focus on understanding the interaction and dynamical behavior of interesting biological molecular systems as well as computer-aided drug development for Cancer, Ulcer, Diabetes, Malaria, Alzheimer, Bacterial and Viral infections. He is the member of Editorial Board of the Journal Current Chinese Science (Bioinformatics). He has completed four research projects successfully. He has produced several MS and PhD students. He has published more than two hundred and fifteen research articles in prestigious international journals. Dr. Wadood's current impact factor is 381.22. Google Scholar h-index=32 and citations 3630. He has been awarded three research productivity awards for the years 2015, 16 and 17 by Pakistan Council of Science and Technology (PCST) and two best research awards for the year 2013 and 2014 by Abdul Wali Khan University Mardan.

  • Research Publications

    S.No: Title
    1 In-silico design of peptide inhibitors of K-Ras target in cancer disease.
    2 A computational subtractive genome analysis for the characterization of novel drug targets in Klebsiella pneumonia strain PittNDM01
    3 Functional annotation of regulatory single nucleotide polymorphisms associated with schizophrenia
    4 Decoding allosteric communication pathways in protein lysine acetyltransferase
    5 Subtractive proteomics and immunoinformatics approaches to explore Bartonella bacilliformis proteome (virulence factors) to design B and T cell multi-epitope subunit vaccine
    6 Synthesis, in vitro urease inhibitory potential and molecular docking study of benzofuran-based-thiazoldinone analogues
    7 Proteome-wide mapping and reverse vaccinology-based B and T cell multi-epitope subunit vaccine designing for immune response reinforcement against Porphyromonas gingivalis
    8 In vivo analgesic, anti-inflammatory, and sedative activity and a molecular docking study of dinaphthodiospyrol G isolated from Diospyros lotus
    9 Synthesis, in vitro alpha glucosidase, urease activities and molecular docking study of bis-indole bearing schiffbase analogs.
    10 Anti-inflammatory and in silico docking studies of Heterophragma adenophyllum seem stem constituents
    11 Modeling novel putative drugs and vaccine candidates against Tick-Borne pathogens: A subtractive proteomics approach
    12 In vivo anti-nociceptive potential and cyclooxygenases 1 and 2 selectivity of di-naphthodiospyrols from Diospyros lotus
    13 In silico modeling of Crimean Congo Hemorrhagic fever virus glycoprotein-N and screening of anti viral hits by virtual screening
    14 Structure-based Virtual Screening Approach for the Discovery of Potent Inhibitors of Aminoglycoside 6'-N-Acetyltransferase Type Ib [AAC(6')-Ib] against K. pneumoniae Infections
    15 Synthesis, in vitro alpha-glucosidase inhibitory potential of benzimidazole bearing bis-Schiff bases and their molecular docking study
    16 Atenolol thiourea hybrid as potent urease inhibitors: Design, biology-oriented drug synthesis, inhibitory activity screening, and molecular docking studies
    17 Exploring the Pyrazinamide Drug Resistance Mechanism of Clinical Mutants T370P and W403G in Ribosomal Protein S1 of Mycobacterium tuberculosis
    18 Gain-of-Function SHP2 E76Q Mutant Rescuing Autoinhibition Mechanism Associated with Juvenile Myelomonocytic Leukemia
    19 Metabolomic analysis of quorum sensing inhibitor hordenine on Pseudomonas aeruginosa
    20 n Silico Cholinesterase and Monoamine Oxidase Inhibitory Activities of Perillaldehyde and D-Limonene, Main Compounds of Essential Oil of Algerian Ammodaucus leucotrichus
    21 Experimental and in silico DNA binding studies with easily accessible and stable zinc(II) carboxylates.
    22 In vitro cholinesterase enzymes inhibitory potential and in silico molecular docking studies of biogenic metal oxides nanoparticles
    23 Schiff bases of tryptamine as potent inhibitors of nucleoside triphosphate diphosphohydrolases (NTPDases): Structure-activity relationship
    24 Cytotoxicity and molecular docking studies on phytosterols isolated from Polygonum hydropiper L
    25 Synthesis, Characterization, Biological Screenings and Molecular Docking Study of Organotin(IV) Derivatives of 2,4-Dichlorophenoxyacetic Acid
    26 Identification of putative non-host essential genes and novel drug targets against Acinetobacter baumannii by in silico comparative genome analysis
    27 Biology-oriented drug synthesis (BIODS), in vitro urease inhibitory activity, and in silico study of S-naproxen derivatives
    28 Theoretical and Experimental in vitro Antifungal and Antitumor Activities of Organotin(IV) Derivatives of 3-(4-nitrophenyl)-2-methylacrylic acid
    29 In Silico, Cytotoxic and Antioxidant Potential of Novel Ester, 3-hydroxyoctyl -5 - trans-docosenoate Isolated from Anchusa arvensis (L.) M.Bieb. Against HepG-2 Cancer Cells
    30 Cytotoxicity of Anchusa arvensis Against HepG-2 Cell Lines: Mechanistic and Computational Approaches
    31 Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study
    32 Synthesis, antimicrobial, antioxidant, cytotoxic, antiurease and molecular docking studies of N-(3-trifluoromethyl)benzoyl-N'-aryl thiourea derivative
    33 Synthesis of quinoline derivatives as diabetic II inhibitors and molecular docking studies
    34 Natural compounds from plants controlling leishmanial growth via DNA damage and inhibiting trypanothione reductase and trypanothione synthetase: an in vitro and in silico approach
    35 Proteome-wide subtractive approach to prioritize a hypothetical protein of XDR-Mycobacterium tuberculosis as potential drug target
    36 Synthesis, in vitro urease inhibitory potential and molecular docking study of Benzimidazole analogues
    37 Spectroscopic characterizations, structural peculiarities, molecular docking study and evaluation of biological potential of newly designed organotin(IV) carboxylates
    38 Synthesis, thymidine phosphorylase, angiogenic inhibition and molecular docking study of isoquinoline derivatives
    39 Subtractive genome analysis for in silico identification and characterization of novel drug targets in Streptococcus pneumonia strain JJA
    40 Subtractive genome analysis for in silico identification and characterization of novel drug targets in Streptococcus pneumonia strain JJA
    41 Selective glycosidase inhibitors: A patent review (2012-present)
    42 The Landscape of Protein Tyrosine Phosphatase (Shp2) and Cancer
    43 Norditerpenoid alkaloids of Delphinium denudatum as cholinesterase inhibitors
    44 Synthetic nicotinic/isonicotinic thiosemicarbazides: In vitro urease inhibitory activities and molecular docking studies
    45 Symmetrical and unsymmetrical substituted 2,5-diarylidene cyclohexanones as anti-parasitic compounds
    46 Anti-proliferative potential of cyclotetrapeptides from Bacillus velezensis RA5401 and their molecular docking on G-Protein-Coupled Receptors
    47 Synthesis and molecular docking study of piperazine derivatives as potent urease inhibitors
    48 Bioassay-guided isolation of urease inhibitors from Ferula narthex Bioss
    49 Pathogens constancy, harbinger of nosocomial infection cum identification of resistant genes and drug designing
    50 Synthesis, SAR elucidations and molecular docking study of newly designed isatin based oxadiazole analogs as potent inhibitors of thymidine phosphorylase
    51 Subtractive Genomics, Molecular Docking and Molecular Dynamics Simulation Revealed LpxC as a Potential Drug Target Against Multi-Drug Resistant Klebsiella pneumoniae
    52 Confinement of mesopores within ZSM-5 and functionalization with Ni NPs for deep desulfurization
    53 Antimicrobial efficiency of diorganotin(IV) bis-[3-(4-chlorophenyl)-2-methylacrylate]
    54 Implications of sequence conservation patterns of serpin B family leading to structural and functional importance
    55 Synthesis and molecular docking study of piperazine derivatives as potent inhibitor of thymidine phosphorylase
    56 Synthesis, molecular docking study and in vitro thymidine phosphorylase inhibitory potential of oxadiazole derivatives
    57 Synthesis, crystal structure, DNA binding and molecular docking studies of zinc(II) carboxylates
    58 1,1'-Carbonyldiimidazole (CDI) Mediated Facile Synthesis, Structural Characterization, Antimicrobial Activity, and in-silico Studies of Coumarin- 3-carboxamide Derivatives
    59 The methicillin-resistant S. epidermidis strain RP62A genome mining for potential novel drug targets identification
    60 In silico identification of promiscuous scaffolds as potential inhibitors of 1-deoxy-d-xylulose 5-phosphate reductoisomerase for treatment of Falciparum malaria
    61 Epitopes based drug design for dengue virus envelope protein: A computational approach
    62 Antioxidant and anticholinesterase potential of diterpenoid alkaloids from Aconitum heterophyllum
    63 2-Indolinone Derivatives as Potent Urease Inhibitors
    64 3,4-Dimethoxybenzohydrazide derivatives as antiulcer: Molecular modeling and density functional studies
    65 Targeting Dengue Virus NS-3 Helicase by Ligand based Pharmacophore Modeling and Structure based Virtual Screening
    66 Identification of Histone Deacetylase (HDAC) as a drug target against MRSA via interolog method of protein-protein interaction prediction
    67 Monoalkylated barbiturate derivatives: X-ray crystal structure, theoretical studies, and biological activities
    68 Morpholine hydrazone scaffold: Synthesis, anticancer activity and docking studies
    69 The in silico identification of small molecules for protein-protein interaction inhibition in AKAP-Lbc-RhoA signaling complex
    70 Corrigendum: Bioassay-Guided Isolation of Sesquiterpene Coumarins from Ferula narthex Bioss: A New Anticancer Agent
    71 Synthesis, characterization, antimicrobial activity and molecular docking studies of combined pyrazol-barbituric acid pharmacophores
    72 Crystal structure, phytochemical study and enzyme inhibition activity of Ajaconine and Delectinine
    73 Identification of potent inhibitors for chromodomain-helicase- DNA-binding protein 1-like through moleculardocking studies
    74 Allosteric mechanism of cyclopropylindolobenzazepine inhibitors for HCV NS5B RdRp via dynamic correlation network analysis
    75 In silico binding analysis and SAR elucidations of newly designed benzopyrazine analogs as potent inhibitors of thymidine phosphorylase
    76 Synthesis and in vitro acetylcholinesterase and butyrylcholinesterase inhibitory potential of hydrazide based Schiff bases
    77 Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies
    78 Antimicrobial Activity of Some Novel Armed Thiophene Derivatives and Petra/Osiris/Molinspiration (POM) Analyses
    79 Computational identification of potential drug targets against Mycobacterium leprae
    80 Synthesis, X-Ray Crystal Structures, Biological Evaluation, and Molecular Docking Studies of a Series of Barbiturate Derivatives
    81 Dihydropyrimidine based hydrazine dihydrochloride derivatives as potent urease inhibitors
    82 Synthesis of Potent Urease Inhibitors Based on Disulphide Scaffold and Their Molecular Docking Studies.
    83 Synthesis and structure investigation of novel pyrimidine-2,4,6-trione derivatives of highly potential biological activity as anti-diabetic agent
    84 New Diethyl Ammonium Salt of Thiobarbituric Acid Derivative: Synthesis, Molecular Structure Investigations and Docking Studies
    85 Synthesis of 4-thiazolidinone analogs as potent in vitro anti-urease agents
    86 Binding site identification and role of permanent water molecule of PIM-3 kinase: A molecular dynamics study
    87 Synthesis, In vitro Biological Activities and In Silico Study of Dihydropyrimidines Derivatives.
    88 Synthesis, molecular docking, acetylcholinesterase and butyrylcholinesterase inhibitory potential of thiazole analogs as new inhibitors for Alzheimer disease
    89 First evidence of the analgesic activity of govaniadine, an alkaloid isolated from Corydalis govaniana Wall.
    90 Structural and spectral investigations of the recently synthesized chalcone (E)-3-mesityl-1-(naphthalen-2-yl) prop-2-en-1-one, a potential chemotherapeutic agent
    91 Synthesis, docking studies, and in silico ADMET predictions of some new derivatives of pyrimidine as potential KSP inhibitors
    92 Metabolic pathway analysis approach: identification of novel therapeutic target against methicillin resistant Staphylococcus aureus
    93 In Silico Identification and Evaluation of Leads for the Simultaneous Inhibition of Protease and Helicase Activities of HCV NS3/4A Protease Using Complex Based Pharmacophore Mapping and Virtual Screening
    94 Computational analysis of benzofuran-2-carboxlic acids as potent Pim-1 kinase inhibitors
    95 In-vivo antinociceptive, anti-inflammatory and antipyretic activity of pistagremic acid isolated from Pistacia integerrima
    96 Molecular modeling and molecular dynamics simulation study of the human Rab9 and RhoBTB3 C-terminus complex
    97 A New Urease Inhibitor from Viola betonicifolia
    98 Genotyping of HCV RNA Reveals That 3a Is the Most Prevalent Genotype in Mardan, Pakistan
    99 Interactions of ketoamide inhibitors on HCV NS3/4A protease target: molecular docking studies
    100 Design of New and Potent Diethyl Thiobarbiturates as Urease Inhibitors: A Computational Approach
    101 Urease inhibitory activity of ursane type sulfated saponins from the aerial parts of Zygophyllum fabago Linn
    102 Prevalence of Tuberculosis in District Khar Bajaur Agency, Khyber Pakhtunkhwa Pakistan
    103 Interaction and inhibition of dengue envelope glycoprotein with mammalian receptor DC-sign, an in-silico approach
    104 In silico identification of novel inhibitors against Plasmodium falciparum dihydroorate dehydrogenase
    105 Phytochemical Analysis of Medicinal Plants Occurring in Local Area of Mardan
    106 Identification of novel Interleukin-2 inhibitors through computational approaches
    107 Molecular docking study of P4-Benzoxaborolesubstituted ligands as inhibitors of HCV NS3/4A protease
    108 Structure based virtual screening-driven identification of monastrol as a potent urease inhibitor
    109 Three-dimensional quantitative structure–activity relationship (CoMSIA) analysis of bis-coumerine analogues as urease inhibitors
    110 A novel pharmacophore model to identify leads for simultaneous inhibition of anti-coagulation and anti-inflammatory activities of snake venom phospholipase A(2)
    111 Structure and dynamics of alpha-glucosidase through molecular dynamics simulation studies
    112 Docking and 3D-QSAR modeling of cyclin-dependent kinase 5/p25 inhibitors
    113 Molecular modeling-based antioxidant arylidene barbiturates as urease inhibitors
    114 Synthesis, antioxidant activities and urease inhibition of some new 1,2,4-triazole and 1,3,4-thiadiazole derivatives
    115 Identification of Novel Urease Inhibitors by High-Throughput Virtual and in Vitro Screening
    116 Identification of potent urease inhibitors via ligand- and structure-based virtual screening and in vitro assays
    117 CoMFA and CoMSIA 3D-QSAR analysis on hydroxamic acid derivatives as urease inhibitors
    118 In silico studies of urease inhibitors to explore ligand-enzyme interactions
    119 Potent alpha amylase inhibitors and radical (DPPH and ABTS) scavengers based on benzofuran-2-yl(phenyl)methanone derivatives: Synthesis, in vitro, kinetics, and in silico studies

  • Awards

    Organization Description Date
    Abdul Wali Khan University Mardan, Pakistan Best Research Award for the year 2013 Feb 25, 2014
    Abdul Wali Khan University Mardan, Pakistan Best Research Award for the year 2014 Feb 25, 2015
    Pakistan Council for Science and Technology (PCST) Research Productivity Award for the year 2015 Mar 1, 2015
    Pakistan Council for Science and Technology (PCST) Research Productivity Award for the year 2016 Apr 1, 2016
    Pakistan Council for Science and Technology (PCST) Research Productivity Award for the year 2017 May 12, 2017

  • Conferences

    Level Country City Conference Dated
    International Pakistan Karachi International conference on natural product chemistry Jun 23, 2006
    International Pakistan Karachi International conference on protein chemistry Dec 9, 2007
    International Pakistan Karachi International conference on natural product chemistry Sep 25, 2008
    International Pakistan Malakand International conference on natural product chemistry Jun 15, 2016
    National Pakistan Mansehra National conference on genetics and structural biology Mar 19, 2017

  • Membership

  • Fundings

    Title Type Source From Date To Date
    Computational and Theoretical Studies of HCV NS3/4A Protease National Research Program for University (NRPU) Higher Education Commission of Pakistan (HEC) Apr 17, 2015 Apr 18, 17
    Application of NGS and Bioinformatics in Molecular Diagnostics and Clinical Practice of Dermatology National Research Program for University (NRPU) Higher Education Commission of Pakistan (HEC) Apr 25, 2017 Apr 24, 2019
    Structure-Based Approach to Design Antiparasitics: Inhibition of Pyrimidine Biosynthesis Enzymes in Startup Research Grant Higher Education Commission of Pakistan (HEC) May 11, 2011 May 10, 2011
    Interaction of phytochemicals from chirayta species with ABCB1 transporter as a factor of host-media Startup Research Grant Higher Education Commission of Pakistan (HEC) May 16, 2012 May 15, 2013
    Prediction of structure and function of the human olfactory receptor OR10A5, a member of the G prote Startup Research Grant Higher Education Commission of Pakistan (HEC) Jun 4, 2014 Jun 3, 2015

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