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  1. Bounds on the Partition Dimension of Convex Polytopes
    Liu JB, Nadeem MF, Azeem M
    Comb Chem High Throughput Screen, 2022;25(3):547-553.
    PMID: 33280591 DOI: 10.2174/1386207323666201204144422
    AIMS AND OBJECTIVE: The idea of partition and resolving sets play an important role in various areas of engineering, chemistry and computer science such as robot navigation, facility location, pharmaceutical chemistry, combinatorial optimization, networking, and mastermind game.

    METHODS: In a graph, to obtain the exact location of a required vertex, which is unique from all the vertices, several vertices are selected; this is called resolving set, and its generalization is called resolving partition, where selected vertices are in the form of subsets. A minimum number of partitions of the vertices into sets is called partition dimension.

    RESULTS: It was proved that determining the partition dimension of a graph is a nondeterministic polynomial time (NP) problem. In this article, we find the partition dimension of convex polytopes and provide their bounds.

    CONCLUSION: The major contribution of this article is that due to the complexity of computing the exact partition dimension, we provide the bounds and show that all the graphs discussed in the results have partition dimensions either less or equals to 4, but not greater than 4.

  2. Fulltext Phytopharmacological Evaluation of Different Solvent Extract/Fractions From Sphaeranthus indicus L. Flowers: From Traditional Therapies to Bioactive Compounds
    Ahmad HI, Nadeem MF, Shoaib Khan HM, Sarfraz M, Saleem H, Khurshid U, et al.
    Front Pharmacol, 2021;12:708618.
    PMID: 34776946 DOI: 10.3389/fphar.2021.708618
    Sphaeranthus indicus L. is a medicinal herb having widespread traditional uses for treating common ailments. The present research work aims to explore the in-depth phytochemical composition and in vitro reactivity of six different polarity solvents (methanol, n-hexane, benzene, chloroform, ethyl acetate, and n-butanol) extracts/fractions of S. indicus flowers. The phytochemical composition was accomplished by determining total bioactive contents, HPLC-PDA polyphenolic quantification, and UHPLC-MS secondary metabolomics. The reactivity of the phenolic compounds was tested through the following biochemical assays: antioxidant (DPPH, ABTS, FRAP, CUPRAC, phosphomolybdenum, and metal chelation) and enzyme inhibition (AChE, BChE, α-glucosidase, α-amylase, urease, and tyrosinase) assays were performed. The methanol extract showed the highest values for phenolic (94.07 mg GAE/g extract) and flavonoid (78.7 mg QE/g extract) contents and was also the most active for α-glucosidase inhibition as well as radical scavenging and reducing power potential. HPLC-PDA analysis quantified rutin, naringenin, chlorogenic acid, 3-hydroxybenzoic acid, gallic acid, and epicatechin in a significant amount. UHPLC-MS analysis of methanol and ethyl acetate extracts revealed the presence of well-known phytocompounds; most of these were phenolic, flavonoid, and glycoside derivatives. The ethyl acetate fraction exhibited the highest inhibition against tyrosinase and urease, while the n-hexane fraction was most active for α-amylase. Moreover, principal component analysis highlighted the positive correlation between bioactive compounds and the tested extracts. Overall, S. indicus flower extracts were found to contain important phytochemicals, hence could be further explored to discover novel bioactive compounds that could be a valid starting point for future pharmaceutical and nutraceuticals applications.
  3. Biochemical, Toxicological, and in Silico Aspects of Trillium govanianum Wall. ex D.Don (Trilliaceae): A Rich Source of Natural Bioactive Compounds
    Khan KM, Nadeem MF, Mannan A, Chohan TA, Islam M, Ansari SA, et al.
    Chem Biodivers, 2024 Jan;21(1):e202301375.
    PMID: 38031244 DOI: 10.1002/cbdv.202301375
    Trillium govanianum is a high-value medicinal herb, having multifunctional traditional and culinary uses. The present investigation was carried out to evaluate the phytochemical, biological and toxicological parameters of the T. govanianum Wall. ex D. Don (Family: Trilliaceae) roots collected from Azad Kashmir, Pakistan. Phytochemical profiling was achieved by determining total bioactive contents (total phenolic and flavonoid contents) and UHPLC-MS analysis. For biological evaluation, antioxidant activities (DPPH, ABTS, FRAP, CUPRAC, phosphomolybdenum, and metal chelation assays) and enzyme inhibition activities (against AChE, BChE, glucosidase, amylase, and tyrosinase) were performed. Moreover, cytotoxicity was assessed against three human carcinoma cell lines (MDA-MB-231, CaSki, and DU-145). The tested extract was found to contain higher total phenolics (7.56 mg GAE/g dry extract) as compared to flavonoid contents (0.45 mg RE/g dry extract). Likewise, for the antioxidant activity, higher CUPRAC activity was noted with 39.84 mg TE/g dry extract values. In the case of enzyme assays, higher activity was pointed out against the cholinesterase, glucosidase and tyrosinase enzymes. The plant extract displayed significant cytotoxicity against the cell lines examined. Moreover, the in-silico studies highlighted the interaction between the important phytochemicals and tested enzymes. To conclude, the assessed biological activity and the existence of bioactive phytochemicals in the studied plant extract may pave the way for the development of novel pharmaceuticals.
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