Publications

@article{qayyum2023design,

title = {Design, synthesis and preclinical evaluations of (s)-2-((s)-1-benzyl-2, 5-dioxopyrrolidin-3-yl)-3-(4-isopropylphenyl)-2-methylpropanal (succ-5) as cardioprotective, hepatoprotective and lipid lowering molecule. in-vivo and in-silico approaches},

author = {Muhammad Imran Qayyum and Sami Ullah and Umer Rashid and Mater H Mahnashi and Mohammed Merae Alshahrani and Amer Al Ali and Abdulaziz Asiri and Ahmed Abdullah Al Awadh and Osama M Alshehri and Abdul Sadiq and others},

year  = {2023},

date = {2023-01-01},

journal = {Arabian Journal of Chemistry},

volume = {16},

number = {2},

pages = {104504},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{javed2023evaluation,

title = {Evaluation of pyrimidine/pyrrolidine-sertraline based hybrids as multitarget anti-Alzheimer agents: In-vitro, in-vivo, and computational studies},

author = {Muhammad Aamir Javed and Muhammad Saeed Jan and Abdullah M Shbeer and Mohammed Al-Ghorbani and Abdur Rauf and Polrat Wilairatana and Abdul Mannan and Abdul Sadiq and Umar Farooq and Umer Rashid},

year  = {2023},

date = {2023-01-01},

journal = {Biomedicine & Pharmacotherapy},

volume = {159},

pages = {114239},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{sultana2023reactivity,

title = {Reactivity of 2, 2-disubstituted quinazolinone towards electrophilic substitution: First in silico design to verify experimental evidence of quinazolinone-based new organic compounds},

author = {Nargis Sultana and Muhammad Sarfraz and Sidra Akram and Umer Rashid and Syed Ali Raza Naqvi and Muhammad I Tariq and Khalid Mahmood Zia and Muhammad Ramzan Saeed Ashraf Janjua},

year  = {2023},

date = {2023-01-01},

journal = {Journal of Physical Organic Chemistry},

pages = {e4488},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{rauf2023anti,

title = {Anti-Inflammatory and Anti-Diabetic Activity of Ferruginan, a Natural Compound from Olea ferruginea},

author = {Abdur Rauf and Umer Rashid and Zafar Ali Shah and Gauhar Rehman and Kashif Bashir and Johar Jamil and Abdur Rahman and Abdulrahman Alsahammari and Metab Alharbi and Abdulmajeed Al-Shahrani and others},

year  = {2023},

date = {2023-01-01},

journal = {Processes},

volume = {11},

number = {2},

pages = {545},

publisher = {MDPI},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{AISHA2022132384,

title = {Synthesis, single crystal, in-silico and in-vitro assessment of the thiazolidinones},

author = {Aisha and Muhammad Asam Raza and Umme Farwa and Umer Rashid and Jan K. Maurin and Armand Budzianowski},

url = {https://www.sciencedirect.com/science/article/pii/S0022286022000576},

doi = {https://doi.org/10.1016/j.molstruc.2022.132384},

issn = {0022-2860},

year  = {2022},

date = {2022-01-01},

journal = {Journal of Molecular Structure},

volume = {1255},

pages = {132384},

abstract = {This project was aimed to check the enzyme inhibition potential of the synthesized thiazolidinones. The target compounds (1–3) were prepared according to reported method and characterized with FTIR and single-crystal X-Ray Diffraction techniques. The compounds were also evaluated theoretically carrying out their docking and DFT studies. Enzyme inhibition studies were carried out spectrophotometrically via in vitro model, which showed that compounds may be useful in therapeutic treatments. Compound 2 showed the highest inhibition against AChE (67.3%), BChE (78.2%) and alpha-glucosidase (86.4%) as compared to compound 1 and compound 3 which showed AChE (53.8%) and (59.5%), BChE (76.2%) and (62.8) α-glucosidase (79.4%) and (86.1%) inhibition, respectively. Docking results of the synthesized compounds were also in favor of experimental work as they exhibited so many interactions with different amino acids residues located on the active sites of the target enzymes. The compounds were optimized with Gaussian 9 using 6–31G(d,p) basis set. In-Silico ADMET study of the compounds exhibited various therapeutic properties, which depicted that they are quite similar to the drug like candidates.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{GHIAS2022132253,

title = {1-Hydroxynaphthalene-4-trifluoromethylphenyl chalcone and 3‑hydroxy-4-trifluoromethylphenyl flavone: A combined experimental, structural, in vitro AChE, BChE and in silico studies},

author = {Mehreen Ghias and Muhammad Naeem Ahmed and Bakhtawar Sajjad and Mahmoud A. A. Ibrahim and Umer Rashid and Syed Wadood Ali Shah and Mohammad Shoaib and Murtaza Madni and Muhammad Nawaz Tahir and Mario A. Macías},

url = {https://www.sciencedirect.com/science/article/pii/S0022286021023735},

doi = {https://doi.org/10.1016/j.molstruc.2021.132253},

issn = {0022-2860},

year  = {2022},

date = {2022-01-01},

journal = {Journal of Molecular Structure},

volume = {1253},

pages = {132253},

abstract = {The synthesis, X-ray characterization, in vitro AChE, BChE and in silico studies of (E)-1-(1-hydroxynaphthalen-2-yl)-3-(4-(trifluoromethyl)phenyl)prop‑2-en-1-one (1) and 3‑hydroxy-2-(4-(trifluoromethyl)phenyl)-4H-chromen-4-one (2) are reported in this manuscript. Both compounds are obtained in good yield (64–70%). The crystal structures of 1, and 2 are affected by the strength of intramolecular O‒H‧‧‧O hydrogen bonds altering the proportion of electrostatic and dispersion forces participating in the solid. Moderate to good activities against AChE and BChE were shown by the target compounds in comparison to reference drug galantamine. Molecular modeling studies via docking simulations indicated that compounds showed binding to the catalytic active site and mid-gorge residues of acetylcholinesterase.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{ghias20221,

title = {1-Hydroxynaphthalene-4-trifluoromethylphenyl chalcone and 3-hydroxy-4-trifluoromethylphenyl flavone: A combined experimental, structural, in vitro AChE, BChE and in silico studies},

author = {Mehreen Ghias and Muhammad Naeem Ahmed and Bakhtawar Sajjad and Mahmoud AA Ibrahim and Umer Rashid and Syed Wadood Ali Shah and Mohammad Shoaib and Murtaza Madni and Muhammad Nawaz Tahir and Mario A Mac'ias},

year  = {2022},

date = {2022-01-01},

journal = {Journal of Molecular Structure},

volume = {1253},

pages = {132253},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{shah2022antioxidant,

title = {Antioxidant and Cytotoxic Activity of a New Ferruginan A from Olea ferruginea: In Vitro and In Silico Studies},

author = {Zafar Ali Shah and Adil AH Mujawah and Irfan Ullah and Abdur Rauf and Umer Rashid and Anees Ahmed Khalil and Syed Muhammad Mukarram Shah and Aini Pervaiz and Farzana Shaheen and Yahya S Al-Awthan and others},

year  = {2022},

date = {2022-01-01},

journal = {Oxidative Medicine and Cellular Longevity},

volume = {2022},

publisher = {Hindawi},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{raza2022synthesis,

title = {Synthesis, single crystal, in-silico and in-vitro assessment of the thiazolidinones},

author = {Muhammad Asam Raza and Umme Farwa and Umer Rashid and Jan K Maurin and Armand Budzianowski and others},

year  = {2022},

date = {2022-01-01},

journal = {Journal of Molecular Structure},

volume = {1255},

pages = {132384},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{mahnashi2022antioxidant,

title = {Antioxidant molecules isolated from edible prostrate knotweed: rational derivatization to produce more potent molecules},

author = {Mater H Mahnashi and Bandar A Alyami and Yahya S Alqahtani and Ali O Alqarni and Muhammad Saeed Jan and Fida Hussain and Rehman Zafar and Umer Rashid and Muhammad Abbas and Muhammad Tariq and others},

year  = {2022},

date = {2022-01-01},

journal = {Oxidative Medicine and Cellular Longevity},

volume = {2022},

publisher = {Hindawi},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{aljohani2022vivo,

title = {In Vivo and In Vitro Biological Evaluation and Molecular Docking Studies of Compounds Isolated from Micromeria biflora (Buch. Ham. ex D. Don) Benth},

author = {Abdullah SM Aljohani and Fahad A Alhumaydhi and Abdur Rauf and Essam M Hamad and Umer Rashid},

year  = {2022},

date = {2022-01-01},

journal = {Molecules},

volume = {27},

number = {11},

pages = {3377},

publisher = {MDPI},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{shahid2022design,

title = {Design, synthesis, and bioevaluation of indole core containing 2-arylidine derivatives of thiazolopyrimidine as multitarget inhibitors of cholinesterases and monoamine oxidase A/B for the treatment of alzheimer disease},

author = {Muhammad Shahid Nadeem and Jalaluddin Azam Khan and Imran Kazmi and Umer Rashid},

year  = {2022},

date = {2022-01-01},

journal = {ACS omega},

volume = {7},

number = {11},

pages = {9369--9379},

publisher = {American Chemical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{mahnashi2022molecular,

title = {Molecular Docking Supported Observed Changes in Anticholinesterase, Antioxidant and $alpha$-Glucosidase Inhibitions upon the Bromination of Benzene Sulfonamide.},

author = {Mater H Mahnashi and Bandar A Alyami and Yahya S Alqahtani and Ali O Alqarni and Muhammad Saeed Jan and Muhammad Ayaz and Farhat Ullah and Umer Rashid and Abdul Sadiq},

year  = {2022},

date = {2022-01-01},

journal = {Journal of the Chemical Society of Pakistan},

volume = {44},

number = {1},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{sadiq20223,

title = {3-(((1 S, 3 S)-3-((R)-Hydroxy (4-(trifluoromethyl) phenyl) methyl)-4-oxocyclohexyl) methyl) pentane-2, 4-dione: Design and Synthesis of New Stereopure Multi-Target Antidiabetic Agent},

author = {Abdul Sadiq and Mater H Mahnashi and Umer Rashid and Muhammad Saeed Jan and Mohammed Abdulrahman Alshahrani and Mohammed A Huneif},

year  = {2022},

date = {2022-01-01},

journal = {Molecules},

volume = {27},

number = {10},

pages = {3265},

publisher = {MDPI},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{mahmood2022anti,

title = {Anti-inflammatory, analgesic and antioxidant potential of new (2 S, 3 S)-2-(4-isopropylbenzyl)-2-methyl-4-nitro-3-phenylbutanals and their Corresponding carboxylic acids through in vitro, in silico and in vivo studies},

author = {Fawad Mahmood and Jamshaid Ali Khan and Mater H Mahnashi and Muhammad Saeed Jan and Muhammad Aamir Javed and Umer Rashid and Abdul Sadiq and Syed Shams ul Hassan and Simona Bungau},

year  = {2022},

date = {2022-01-01},

journal = {Molecules},

volume = {27},

number = {13},

pages = {4068},

publisher = {MDPI},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{javed2022diclofenac,

title = {Diclofenac derivatives as concomitant inhibitors of cholinesterase, monoamine oxidase, cyclooxygenase-2 and 5-lipoxygenase for the treatment of Alzheimer's disease: synthesis, pharmacology, toxicity and docking studies},

author = {Muhammad Aamir Javed and Saba Bibi and Muhammad Saeed Jan and Muhammad Ikram and Asma Zaidi and Umar Farooq and Abdul Sadiq and Umer Rashid},

year  = {2022},

date = {2022-01-01},

journal = {RSC advances},

volume = {12},

number = {35},

pages = {22503--22517},

publisher = {Royal Society of Chemistry},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{hemeg2022vitro,

title = {In Vitro $alpha$-Glycosidase Inhibition and In Silico Studies of Flavonoids Isolated from Pistacia integerrima Stew ex Brandis},

author = {Hassan A Hemeg and Abdur Rauf and Umer Rashid and Naveed Muhammad and Yahya S Al-Awthan and Omar S Bahattab and Mohammed A Al-Duais and Syed Uzair Ali Shah},

year  = {2022},

date = {2022-01-01},

journal = {BioMed Research International},

volume = {2022},

publisher = {Hindawi Limited},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{zada2022fatty,

title = {Fatty acid amide hydrolase inhibition and N-arachidonoylethanolamine modulation by isoflavonoids: A novel target for upcoming antidepressants},

author = {Wahid Zada and Jonathan W VanRyzin and Miguel Perez-Pouchoulen and Samantha L Baglot and Matthew N Hill and Ghulam Abbas and Sarah M Clark and Umer Rashid and Margaret M McCarthy and Abdul Mannan},

year  = {2022},

date = {2022-01-01},

journal = {Pharmacology Research & Perspectives},

volume = {10},

number = {5},

pages = {e00999},

publisher = {Wiley Online Library},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{alqahtani2022anti,

title = {Anti-Inflammatory Potentials of $beta$-Ketoester Derivatives of N-Ary Succinimides: In Vitro, In Vivo, and Molecular Docking Studies},

author = {Yahya S Alqahtani and Muhammad Saeed Jan and Mater H Mahnashi and Bandar A Alyami and Ali O Alqarni and Umer Rashid and Fawad Mahmood and Muhammad Tariq and Abdul Sadiq},

year  = {2022},

date = {2022-01-01},

journal = {Journal of Chemistry},

volume = {2022},

publisher = {Hindawi},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{ejaz2022rational,

title = {Rational design, synthesis, antiproliferative activity against MCF-7, MDA-MB-231 cells, estrogen receptors binding affinity, and computational study of indenopyrimidine-2, 5-dione analogs for the treatment of breast cancer},

author = {Iqra Ejaz and Muhammad Aamir Javed and Muhammad Saeed Jan and Muhammad Ikram and Abdul Sadiq and Sajjad Ahmad and Umer Rashid},

year  = {2022},

date = {2022-01-01},

journal = {Bioorganic & Medicinal Chemistry Letters},

volume = {64},

pages = {128668},

publisher = {Pergamon},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{shamim2022gemifloxacin,

title = {Gemifloxacin-transition metal complexes as therapeutic candidates: antimicrobial, antifungal, anti-enzymatic, and docking studies of newly synthesized complexes},

author = {Sana Shamim and Somia Gul and Abdur Rauf and Umer Rashid and Ajmal Khan and Rafat Amin and Faiza Akhtar},

year  = {2022},

date = {2022-01-01},

journal = {Heliyon},

volume = {8},

number = {8},

pages = {e10378},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{mahnashi2022vitro,

title = {In-Vitro, In-Vivo, Molecular Docking and ADMET Studies of 2-Substituted 3, 7-Dihydroxy-4H-chromen-4-one for Oxidative Stress, Inflammation and Alzheimer’s Disease},

author = {Mater H Mahnashi and Mohammed Abdulrahman Alshahrani and Mohammed H Nahari and Syed Shams ul Hassan and Muhammad Saeed Jan and Muhammad Ayaz and Farhat Ullah and Osama M Alshehri and Mohammad Ali Alshehri and Umer Rashid and others},

year  = {2022},

date = {2022-01-01},

journal = {Metabolites},

volume = {12},

number = {11},

pages = {1055},

publisher = {MDPI},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{mahnashi2022phytochemistry,

title = {Phytochemistry, anti-diabetic and antioxidant potentials of Allium consanguineum Kunth},

author = {Mater H Mahnashi and Yahya S Alqahtani and Ali O Alqarni and Bandar A Alyami and Omaish S Alqahtani and Muhammad Saeed Jan and Fida Hussain and Zia Ul Islam and Farhat Ullah and Muhammad Ayaz and others},

year  = {2022},

date = {2022-01-01},

journal = {BMC Complementary Medicine and Therapies},

volume = {22},

number = {1},

pages = {154},

publisher = {BioMed Central London},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{sm2021density,

title = {Density functional theory, molecular docking and in vivo muscle relaxant, sedative, and analgesic studies of indanone derivatives isolated from Heterophragma adenophyllum},

author = {Abdullah SM Aljohani and Tareq Abu-Izneid and Zafar Ali Shah and Umer Rashid and Khurshid Ayub and Abdur Rauf and Naveed Muhammad and Fahad A Alhumaydhi and Maria Asghar and Mohammad S Mubarak and others},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Biomolecular Structure and Dynamics},

volume = {39},

number = {17},

pages = {6488--6499},

publisher = {Taylor & Francis},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{mahnashi2021phytochemical,

title = {Phytochemical profiling of bioactive compounds, anti-inflammatory and analgesic potentials of Habenaria digitata Lindl.: Molecular docking based synergistic effect of the identified compounds},

author = {Mater H Mahnashi and Bandar A Alyami and Yahya S Alqahtani and Muhammad Saeed Jan and Umer Rashid and Abdul Sadiq and Ali O Alqarni},

year  = {2021},

date = {2021-01-01},

journal = {Journal of ethnopharmacology},

volume = {273},

pages = {113976},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{rauf2021potent,

title = {Potent urease inhibition and in silico docking study of four secondary metabolites isolated from Heterophragma adenophyllum Seem},

author = {Abdur Rauf and Yahya S Al-Awthan and Omar Bahattab and Zafar Ali Shah and Umer Rashid and Saud Bawazeer and Mohammad Ali Shariati and Mohamad Fawzi Mahomoodally and Sirajudheen Anwar and Kannan RR Rengasamy},

year  = {2021},

date = {2021-01-01},

journal = {South African Journal of Botany},

volume = {142},

pages = {201--205},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{rauf2021docking,

title = {Docking-based virtual screening and identification of potential COVID-19 main protease inhibitors from brown algae},

author = {Abdur Rauf and Umer Rashid and Anees Ahmed Khalil and Shahid Ali Khan and Sirajudheen Anwar and Ahmed Alafnan and Abdulhakeem Alamri and Kannan RR Rengasamy},

year  = {2021},

date = {2021-01-01},

journal = {South African Journal of Botany},

volume = {143},

pages = {428--434},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{javed2021structural,

title = {Structural modification, in vitro, in vivo, ex vivo, and in silico exploration of pyrimidine and pyrrolidine cores for targeting enzymes associated with neuroinflammation and cholinergic deficit in Alzheimer’s disease},

author = {Muhammad Aamir Javed and Nighat Ashraf and Muhammad Saeed Jan and Mater H Mahnashi and Yahya S Alqahtani and Bandar A Alyami and Ali O Alqarni and Yahya I Asiri and Muhammad Ikram and Abdul Sadiq and others},

year  = {2021},

date = {2021-01-01},

journal = {ACS Chemical Neuroscience},

volume = {12},

number = {21},

pages = {4123--4143},

publisher = {American Chemical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{sadiq2021tailoring,

title = {Tailoring the substitution pattern of Pyrrolidine-2, 5-dione for discovery of new structural template for dual COX/LOX inhibition},

author = {Abdul Sadiq and Mater H Mahnashi and Bandar A Alyami and Yahya S Alqahtani and Ali O Alqarni and Umer Rashid},

year  = {2021},

date = {2021-01-01},

journal = {Bioorganic Chemistry},

volume = {112},

pages = {104969},

publisher = {Academic Press},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{ahmed2021new,

title = {A New Insight into Non-covalent Interactions in 1, 4-Disubstituted 1H-1, 2, 3-Triazole: Synthesis, X-ray structure, DFT calculations, in vitro Lipoxygenase Inhibition (LOX) and in silico Studies},

author = {Muhammad Naeem Ahmed and Sadia Shabbir and Bakhtawar Batool and Tariq Mahmood and Umer Rashid and Khawaja Ansar Yasin and Muhammad Nawaz Tahir and ML Arias Cassará and Diego M Gil},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Molecular Structure},

volume = {1236},

pages = {130283},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{quradha2021isolation,

title = {Isolation, biological evaluation, and molecular docking studies of compounds from Sophora mollis (Royle) Graham Ex Baker},

author = {Mohammed Mansour Quradha and Rasool Khan and Achyut Adhikari and Abdur Rauf and Umer Rashid and Sami Bawazeer and Yahya S Al-Awthan and Omar Bahattab and Mohammad S Mubarak},

year  = {2021},

date = {2021-01-01},

journal = {ACS omega},

volume = {6},

number = {24},

pages = {15911--15919},

publisher = {ACS Publications},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{ahmad2021synthesis,

title = {Synthesis of michael adducts as key building blocks for potential analgesic drugs: in vitro, in vivo and in silico explorations},

author = {Sajjad Ahmad and Mater H Mahnashi and Bandar A Alyami and Yahya S Alqahtani and Farhat Ullah and Muhammad Ayaz and Muhammad Tariq and Abdul Sadiq and Umer Rashid},

year  = {2021},

date = {2021-01-01},

journal = {Drug Design, Development and Therapy},

volume = {15},

pages = {1299--1313},

publisher = {Taylor & Francis},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{alam2021vitro,

title = {In vitro and in silico xanthine oxidase inhibitory potential of Benzofuran isolated from Viburnum grandiflorum Wall. Ex DC},

author = {Muhammad Alam and Ghias Uddin and Umer Rashid and Abdur Rauf and Muslim Raza and Syed Muhammad Mukarram Shah and Syed Uzair Ali Shah and Saima Naz and Khalid Khan and Ajmal Khan},

year  = {2021},

date = {2021-01-01},

journal = {South African Journal of Botany},

volume = {143},

pages = {359--362},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bibi2021exploring,

title = {Exploring the ability of dihydropyrimidine-5-carboxamide and 5-benzyl-2, 4-diaminopyrimidine-based analogues for the selective inhibition of L. major Dihydrofolate reductase},

author = {Maria Bibi and Naveeda Akhter Qureshi and Abdul Sadiq and Umar Farooq and Abbas Hassan and Nargis Shaheen and Irfa Asghar and Duaa Umer and Azmat Ullah and Farhan A Khan and others},

year  = {2021},

date = {2021-01-01},

journal = {European Journal of Medicinal Chemistry},

volume = {210},

pages = {112986},

publisher = {Elsevier Masson},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{nadeem2021fluoxetine,

title = {Fluoxetine and sertraline based multitarget inhibitors of cholinesterases and monoamine oxidase-A/B for the treatment of Alzheimer's disease: Synthesis, pharmacology and molecular modeling studies},

author = {Muhammad Shahid Nadeem and Jalaluddin Azam Khan and Umer Rashid},

year  = {2021},

date = {2021-01-01},

journal = {International Journal of Biological Macromolecules},

volume = {193},

pages = {19--26},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{tufail2021synthesis,

title = {Synthesis, pharmacological evaluation and Molecular modelling studies of pregnenolone derivatives as inhibitors of human dihydrofolate reductase},

author = {Muhammad Bilal Tufail and Muhammad Aamir Javed and Muhammad Ikram and Mater H Mahnashi and Bandar A Alyami and Yahya S Alqahtani and Abdul Sadiq and Umer Rashid},

year  = {2021},

date = {2021-01-01},

journal = {Steroids},

volume = {168},

pages = {108801},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{al2021sedative,

title = {Sedative-hypnotic effect and in silico study of dinaphthodiospyrols isolated from Diospyros lotus Linn},

author = {Yahya S Al-Awthan and Abdur Rauf and Umer Rashid and Sami Bawazeer and Saima Naz and Omar Bahattab and Saud Bawazeer and Naveed Muhammad and Dania Saad Waggas and Gaber El-Saber Batiha and others},

year  = {2021},

date = {2021-01-01},

journal = {Biomedicine & Pharmacotherapy},

volume = {140},

pages = {111745},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{niaz2021vitro,

title = {The In Vitro $alpha$-Glucosidase Inhibition Activity of Various Solvent Fractions of Tamarix dioica and 1H-NMR Based Metabolite Identification and Molecular Docking Analysis},

author = {Aamir Niaz and Ahmad Adnan and Rashida Bashir and Muhammad Waseem Mumtaz and Syed Ali Raza and Umer Rashid and Chin Ping Tan and Tai Boon Tan},

year  = {2021},

date = {2021-01-01},

journal = {Plants},

volume = {10},

number = {6},

pages = {1128},

publisher = {MDPI},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{din2021antidiabetic,

title = {Antidiabetic Activity of Ficusonolide, a Triterpene Lactone from Ficus foveolata (Wall. ex Miq.): In Vitro, In Vivo, and In Silico Approaches},

author = {Ala Ud Din and Maria Khan and Muhammad Zahir Shah and Abdur Rauf and Umer Rashid and Anees Ahmed Khalil and Khair Zaman and Yahya S Al-Awthan and Mohammed A Al-Duais and Omar Bahattab and others},

year  = {2021},

date = {2021-01-01},

journal = {ACS omega},

volume = {6},

number = {41},

pages = {27351--27357},

publisher = {ACS Publications},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{kosar2021theoretical,

title = {Theoretical investigation of halides encapsulated Na@ B40 nanocages for potential applications as anodes for sodium ion batteries},

author = {Naveen Kosar and Faizan Ullah and Khurshid Ayub and Umer Rashid and Muhammad Imran and Muhammad Naeem Ahmed and Tariq Mahmood},

year  = {2021},

date = {2021-01-01},

journal = {Materials Science in Semiconductor Processing},

volume = {121},

pages = {105437},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{zainab2021role,

title = {Role of persistent organic pollutants in breast cancer progression and identification of estrogen receptor alpha inhibitors using in-silico mining and drug-drug interaction network approaches},

author = {Bibi Zainab and Zainab Ayaz and Umer Rashid and Dunia A Al Farraj and Roua M Alkufeidy and Fatmah S AlQahtany and Reem M Aljowaie and Arshad Mehmood Abbasi},

year  = {2021},

date = {2021-01-01},

journal = {Biology},

volume = {10},

number = {7},

pages = {681},

publisher = {MDPI},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{alhumaydhi2021vivo,

title = {In Vivo and In Silico Studies of Flavonoids Isolated from Pistacia integerrima as Potential Antidiarrheal Agents},

author = {Fahad A Alhumaydhi and Abdur Rauf and Umer Rashid and Saud Bawazeer and Khalid Khan and Mohammad S Mubarak and Abdullah SM Aljohani and Haroon Khan and Gaber El-Saber Batiha and Mohamed A El-Esawi and others},

year  = {2021},

date = {2021-01-01},

journal = {ACS omega},

volume = {6},

number = {24},

pages = {15617--15624},

publisher = {ACS Publications},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{rauf2021naphthoquinones,

title = {Naphthoquinones from Diospyros lotus as potential urease inhibitors: In vitro and in silico studies},

author = {Abdur Rauf and Fahad A Alhumaydhi and Umer Rashid and Abdullah SM Aljohani and Yahya Saleh Mohamed Al-Awthan and Omar Salem Bahattab and Muhammad Saleem},

year  = {2021},

date = {2021-01-01},

journal = {South African Journal of Botany},

volume = {143},

pages = {301--305},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{muhammad2021structural,

title = {Structural Modification, In Vitro, In Vivo, Ex Vivo, and In Silico Exploration of Pyrimidine and Pyrrolidine Cores for Targeting Enzymes Associated with Neuroinflammation and Cholinergic Deficit in Alzheimer’s Disease},

author = {Muhammad Saeed Jan Nighat Ashraf Muhammad Aamir Javed and Umer Rashid},

year  = {2021},

date = {2021-01-01},

journal = {ACS Chem. Neurosci},

volume = {12},

pages = {4123--4143},

publisher = {ACS},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{ali2021inhibition,

title = {Inhibition Profiling of Urease and Carbonic Anhydrase II by High-Throughput Screening and Molecular Docking Studies of Structurally Diverse Organic Compounds},

author = {Majid Ali and Syed M Bukhari and Asma Zaidi and Farhan A Khan and Umer Rashid and Neelum Tahir and Baseerat Rabbani and Umar Farooq},

year  = {2021},

date = {2021-01-01},

journal = {Letters in Drug Design & Discovery},

volume = {18},

number = {3},

pages = {299--312},

publisher = {Bentham Science Publishers},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{mahnashi2021neuroprotective,

title = {Neuroprotective potentials of selected natural edible oils using enzyme inhibitory, kinetic and simulation approaches},

author = {Mater H Mahnashi and Bandar A Alyami and Yahya S Alqahtani and Ali O Alqarni and Muhammad Saeed Jan and Muhammad Ayaz and Farhat Ullah and Muhammad Shahid and Umer Rashid and Abdul Sadiq},

year  = {2021},

date = {2021-01-01},

journal = {BMC Complementary Medicine and Therapies},

volume = {21},

number = {1},

pages = {1--14},

publisher = {BioMed Central},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bawazer2021pom,

title = {POM analysis and computational interactions of 8-hydroxydiospyrin inside active site of protein tyrosine phosphatase 1B},

author = {Saud Bawazer and Asghar Khan and Abdur Rauf and Taibi Ben Hadda and Yahya S Al-Awthan and Omar Bahattab and Umer Rashid and Inamullah Khan and Muhammad Asif Nawaz and Md Sahab Uddin and others},

year  = {2021},

date = {2021-01-01},

journal = {Biocell},

volume = {45},

number = {3},

pages = {751},

publisher = {Tech Science Press},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{sajid2021hydrogen,

title = {Hydrogen adsorption on Ge52-, Ge92- and Sn92- Zintl clusters: A DFT study},

author = {Hasnain Sajid and Sana Malik and Umer Rashid and Tariq Mahmood and Khurshid Ayub},

year  = {2021},

date = {2021-01-01},

journal = {Computational and Theoretical Chemistry},

volume = {1199},

pages = {113191},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{lu2021novel,

title = {Novel vaccine design based on genomics data analysis: A review},

author = {Guangli Lu and Sharui Shan and Bibi Zainab and Zainab Ayaz and Jialiang He and Zhenxing Xie and Umer Rashid and Dalin Zhang and Arshad Mehmood Abbasi},

year  = {2021},

date = {2021-01-01},

journal = {ScandInavian Journal of Immunology},

volume = {93},

number = {3},

pages = {e12986},

publisher = {Wiley Online Library},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{aljohani2021density,

title = {Density functional theory, molecular docking and in vivo muscle relaxant, sedative, and analgesic studies of indanone derivatives isolated from Heterophragma adenophyllum},

author = {Abdullah SM Aljohani and Tareq Abu-Izneid and Zafar Ali Shah and Umer Rashid and Khurshid Ayub and Abdur Rauf and Naveed Muhammad and Fahad A Alhumaydhi and Maria Asghar and Mohammad S Mubarak and others},

year  = {2021},

date = {2021-01-01},

journal = {Journal of biomolecular structure & dynamics},

volume = {39},

number = {17},

pages = {6488--6499},

keywords = {},

pubstate = {published},

tppubtype = {article}

}